SCHEMBL7325083

SCHEMBL7325083

CC[C@H](C)[C@H](N)C(=O)NCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
POLB P06746 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 3/20 0.50
CYP3A4 P08684 1/20 0.49
KMT2A Q03164 2/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8546297 1.00 SMN1; SMN2 (0.59) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL9706397 0.99 SMN1; SMN2 (0.57) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
Trifluoroacetic Acid SCHEMBL9128714 0.92 SMN1; SMN2 (0.60) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL10431267 0.88 CYP3A4 (0.58) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL12310929 0.87 SMN1; SMN2 (0.63) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL10448601 0.87 HTT (0.56) SMN1; SMN2POLBCYP1A2ALDH1A1NPC1
SCHEMBL14931534 0.84 SMN1; SMN2 (0.66) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL10378904 0.84 POLB (0.54) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL20145306 0.82 SMN1; SMN2 (0.56) SMN1; SMN2POLBCYP1A2CYP2D6MAPT
SCHEMBL2140582 0.81 BACE1 (0.41) SMN1; SMN2POLBCYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349570-A1 RENIN INHIBITORS CONTAINING A CYCLOPROPYL AMINO ACID AND/OR A CYCLOALKYL TRANSITION-STATE ANALOGUE THE UPJOHN COMPANY (US) 1990-01-10 EP claimed
WO-1988007053-A1 RENIN INHIBITORS CONTAINING A CYCLOPROPYL AMINO ACID AND/OR A CYCLOALKYL TRANSITION-STATE ANALOGUE THE UPJOHN COMPANY (US) 1988-09-22 WO claimed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0578745-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1994-01-19 EP disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed
WO-1992017490-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1992-10-15 WO disclosed
EP-0435887-A1 RENIN INHIBITORY PEPTIDES CONTAINING MALEAMIDE SUBSTITUENTS THE UPJOHN COMPANY (US) 1991-07-10 EP disclosed
EP-0400290-A1 5-Amino-4-hydroxyvalerianic acid derivatives useful as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1990-12-05 EP disclosed
EP-0218688-B1 DIHALO-STATINE SUBSTITUTED RENIN INHIBITORS THE UPJOHN COMPANY (US) 1990-09-12 EP disclosed
EP-0349570-A1 RENIN INHIBITORS CONTAINING A CYCLOPROPYL AMINO ACID AND/OR A CYCLOALKYL TRANSITION-STATE ANALOGUE THE UPJOHN COMPANY (US) 1990-01-10 EP disclosed
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
WO-1988007053-A1 RENIN INHIBITORS CONTAINING A CYCLOPROPYL AMINO ACID AND/OR A CYCLOALKYL TRANSITION-STATE ANALOGUE THE UPJOHN COMPANY (US) 1988-09-22 WO disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
EP-0237202-A2 Novel renin inhibiting peptides having a dihydroxyethylene isostere transition state insert THE UPJOHN COMPANY (US) 1987-09-16 EP disclosed
WO-1987005302-A1 NOVEL RENIN-INHIBITING PEPTIDES HAVING A DIHYDROXYETHYLENE ISOSTERE TRANSITION STATE INSERT THE UPJOHN COMPANY (US) 1987-09-11 WO disclosed
EP-0218688-A1 DIHALO-STATINE SUBSTITUTED RENIN INHIBITORS. UPJOHN CO (US) 1987-04-22 EP disclosed
WO-1986006379-A1 DIHALO-STATINE SUBSTITUTED RENIN INHIBITORS THE UPJOHN COMPANY (US) 1986-11-06 WO disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed