SCHEMBL7400751

SCHEMBL7400751

N#Cc1ccccc1N1CCNC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRL1 P41146 1/20 0.42
GRM2 Q14416 1/20 0.40
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
GRM5 P41594 1/20 0.38
NOTUM Q6P988 1/20 0.38
HTR1A P08908 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
METAP2 P50579 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL20140061 0.80 HTR2C (0.40) OPRM1OPRL1GRM2DRD2DRD4
Hydrochloric Acid SCHEMBL1583458 0.78 OPRM1 (0.39) OPRM1OPRL1GRM2DRD2DRD4
SCHEMBL20139976 0.78 JAK2 (0.42) DRD2DRD4GRM5HTR1AADRA1A
SCHEMBL2530710 0.76 RXFP1 (0.43) OPRM1OPRL1GRM2DRD2DRD4
SCHEMBL19145287 0.75 OPRL1 (0.61) OPRM1OPRL1
SCHEMBL3957395 0.75 SCN9A (0.47) SCN9AALDH1A1HTTSMN1; SMN2ALOX5AP
SCHEMBL6474586 0.75 OPRM1 (0.46) OPRM1OPRL1GRM2DRD2GRM5
SCHEMBL2882677 0.74 DDB1 (0.60) SCN9ASMN1; SMN2
SCHEMBL6769390 0.74 SCN9A (0.46) SCN9AALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL15916282 0.74 SCN9A (0.46) SCN9AALDH1A1SMN1; SMN2ALOX5APFEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed