Xibenolol

Xibenolol

SCHEMBL79879

Cc1cccc(OCC(O)CNC(C)(C)C)c1C

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.70
MAPT P10636 2/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
ADRB2 P07550 9/20 0.61
ADRB1 P08588 6/20 0.61
HTR1A P08908 3/20 0.60
ADRA2A P08913 2/20 0.60
ADRA2B P18089 1/20 0.60
MAOA P21397 1/20 0.60
HTR2B P41595 1/20 0.60
GRK3 P35626 1/20 0.59
ACHE P22303 1/20 0.59
ADRB3 P13945 3/20 0.58
TSHR P16473 2/20 0.58
SLC6A4 P31645 2/20 0.58
SIGMAR1 Q99720 1/20 0.58
CYP1A2 P05177 2/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Xibenolol SCHEMBL79880 1.00 CYP2D6 (0.70) CYP2D6MAPTMEN1KMT2AKDM4E
Xibenolol SCHEMBL6506961 1.00 CYP2D6 (0.70) CYP2D6MAPTMEN1KMT2AKDM4E
Xibenolol SCHEMBL29387811 1.00 CYP2D6 (0.70) CYP2D6MAPTMEN1KMT2AKDM4E
Xibenolol SCHEMBL7267198 0.99 CYP2D6 (0.72) CYP2D6MAPTMEN1KMT2AKDM4E
SCHEMBL11228623 0.88 CYP2D6 (0.54) CYP2D6MAPTMEN1KMT2AKDM4E
SCHEMBL11864322 0.87 CYP2D6 (0.82) CYP2D6MAPTMEN1KMT2AKDM4E
SCHEMBL11231031 0.85 CYP2D6 (0.65) CYP2D6MAPTMEN1KMT2AKDM4E
SCHEMBL11870445 0.85 MAPT (0.78) CYP2D6MAPTMEN1KMT2AADRB2
SCHEMBL3956865 0.84 ALOX15 (0.63) CYP2D6MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11870616 0.83 MAPT (0.81) CYP2D6MAPTMEN1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2065 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183932-A2 MONOBODIES BINDING TO INTERCELLULAR ADHESION MOLECULE 2 (ICAM-2) NEW YORK UNIVERSITY (US) 2023-09-28 WO claimed
EP-3485908-B1 THERAPEUTIC COMBINATION AND USE OF DLL4 ANTAGONIST ANTIBODIES AND ANTI-HYPERTENSIVE AGENTS MEREO BIOPHARMA 5 INC (US) 2021-08-18 EP claimed
EP-3072526-B1 THERAPEUTIC COMBINATION AND USE OF DLL4 ANTAGONIST ANTIBODIES AND ANTI-HYPERTENSIVE AGENTS ONCOMED PHARM INC (US) 2018-09-26 EP claimed
US-9982042-B2 Therapeutic combination and methods of treatment with a DLL4 antagonist and an anti-hypertensive agent ONCOMED PHARMACEUTICALS, INC. (US) 2018-05-29 US claimed
US-20170299598-A1 Methods and Monitoring of Treatment With A DLL4 Antagonist ONCOMED PHARMACEUTICALS, INC. 2017-10-19 US claimed
US-20170166632-A1 Therapeutic Combination and Methods of Treatment With A DLL4 Antagonist and an Anti-Hypertensive Agent ONCOMED PHARMACEUTICALS, INC. 2017-06-15 US claimed
US-9585884-B2 Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC. (US) 2017-03-07 US claimed
US-20170000766-A1 Methods and Compositions Involving (S)-Bucindolol GENVARA BIOPHARMA, INC. 2017-01-05 US claimed
US-20170002015-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS INC (US) 2017-01-05 US claimed
US-9511139-B2 Therapeutic combination and methods of treatment with a DLL4 antagonist and an anti-hypertensive agent ONCOMED PHARMACEUTICALS, INC. (US) 2016-12-06 US claimed
US-4767784-A DIPHENYLACETATES RORER PHARMACEUTICAL CORPORATION 1988-08-30 US claimed
EP-0278158-A2 Renin inhibitors containing phenylalanyl-histidine replacements MERCK & CO. INC. (US) 1988-08-17 EP claimed
EP-0273696-A2 Renin inhibitors containing histidine replacements MERCK & CO. INC. (US) 1988-07-06 EP claimed
EP-0229947-A1 Novel crystalline salts of aryloxy-propanolamines, their preparation and their use RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-07-29 EP claimed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 EP claimed
EP-0163237-A2 Di- and tri-peptidal renin inhibitors MERCK & CO. INC. (US) 1985-12-04 EP claimed
EP-0157409-A2 Renin inhibitors containing 2-substituted statine MERCK & CO. INC. (US) 1985-10-09 EP claimed
EP-0156318-A2 C-terminal amide cyclic renin inhibitors containing peptide isosteres MERCK & CO. INC. (US) 1985-10-02 EP claimed
EP-0156322-A2 Renin inhibitors containing peptide isosteres MERCK & CO. INC. (US) 1985-10-02 EP claimed
EP-0129189-A2 Renin inhibitors containing a C-terminal amide cycle and compositions and combinations containing the same MERCK & CO. INC. (US) 1984-12-27 EP claimed