SCHEMBL2021875

SCHEMBL2021875

NCC(O)COc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 2/20 0.59
CYP2D6 P10635 3/20 0.56
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
KDM4E B2RXH2 1/20 0.54
ALOX15 P16050 1/20 0.54
NR2E1 Q9Y466 1/20 0.54
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 2/20 0.53
HIF1A Q16665 1/20 0.53
RECQL P46063 1/20 0.53
SCN4A P35499 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL5878404 1.00 L3MBTL1 (0.61) L3MBTL1LMNACYP2D6ADRB2ADRB1
SCHEMBL4019175 1.00 L3MBTL1 (0.61) L3MBTL1LMNACYP2D6ADRB2ADRB1
Hydrochloric Acid SCHEMBL4925995 0.98 L3MBTL1 (0.64) L3MBTL1LMNACYP2D6ADRB2ADRB1
Hydrochloric Acid SCHEMBL6539516 0.98 L3MBTL1 (0.64) L3MBTL1LMNACYP2D6ADRB2ADRB1
SCHEMBL8823934 0.93 LTA4H (0.55) L3MBTL1LMNACYP2D6ADRB2ADRB1
SCHEMBL11127254 0.89 SMN1; SMN2 (0.61) L3MBTL1LMNAKDM4EALOX15NR2E1
SCHEMBL772498 0.89 KDM1A (0.56) L3MBTL1LMNAALOX15NR2E1MAPT
SCHEMBL267463 0.87 LMNA (0.68) L3MBTL1LMNACYP2D6ADRB2ADRB1
SCHEMBL6075106 0.86 RAB9A (0.59) L3MBTL1LMNAMAPTSMN1; SMN2TSHR
SCHEMBL6797677 0.86 RAB9A (0.59) L3MBTL1LMNAMAPTSMN1; SMN2TSHR

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

Claimed or disclosed in 253 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0194751-B1 DIHYDROPYRIDINE ALKANOL AMINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-15 EP claimed
EP-0110746-B1 DERIVATIVES OF 3-AMINO-1-PHENOXY-2-PROPANOL, THEIR THERAPEUTICAL USE AND PROCESS FOR THEIR PREPARATION LABORATOIRE L. LAFON Société anonyme dite: (FR) 1986-06-11 EP claimed
EP-0110746-A1 Derivatives of 3-amino-1-phenoxy-2-propanol, their therapeutical use and process for their preparation LABORATOIRE L. LAFON Société anonyme dite: (FR) 1984-06-13 EP claimed
EP-0025727-B1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM SANOFI S.A. (FR) 1984-03-28 EP claimed
US-4049797-A 1-PHENOXY-2-HYDROXY-3-AMINO-PROPANE-SUGAR COMPOUND CIBA-GEIGY CORPORATION (US) 1977-09-20 US claimed
US-4029783-A CARDIOTONIC, VASODILATION BOEHRINGER MANNHEIM G.M.B.H. (DT) 1977-06-14 US claimed
US-4020071-A B-ADRENOLYTIC, ANTIARRHYTHMIA CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-04-26 US claimed
US-4018778-A ADRENALYTIC OR ANTIARRYTHMIC AGENTS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-04-19 US claimed
US-3998810-A CARDIAC AND CIRCULATORY ACTIVITY BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-12-21 US claimed
US-3978041-A CARDIAC INSUFFICIENCY CIBA-GEIGY CORPORATION (US) 1976-08-31 US claimed
US-3969363-A CARDIOVASCULAR DISORDERS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-07-13 US claimed
US-3940406-A HEART DISORDERS, PROPHYLAXIS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-02-24 US claimed
JP-61063664-A None JP disclosed
JP-1151554-A None JP disclosed
WO-2023223924-A1 GLYCIDYL ETHER GROUP-CONTAINING COMPOUND, CURABLE RESIN COMPOSITION, CURED OBJECT, AND LAMINATE DIC株式会社 2023-11-23 WO disclosed
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 CN disclosed
US-3968129-A CARDIOVASCULAR BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-07-06 US disclosed
US-3940406-A HEART DISORDERS, PROPHYLAXIS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-02-24 US disclosed
US-3940406-A HEART DISORDERS, PROPHYLAXIS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-02-24 US disclosed
US-3940406-A HEART DISORDERS, PROPHYLAXIS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-02-24 US disclosed