SCHEMBL7424245

SCHEMBL7424245

CC[C@H](NC(=O)CC1CCCN(c2ccc(C=NN)cc2)C1=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
AVPR2 P30518 2/20 0.33
AVPR1A P37288 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.31
ACE P12821 1/20 0.31
CAPN1 P07384 1/20 0.31
F10 P00742 2/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
GFER P55789 1/20 0.30
FPR1 P21462 1/20 0.30
FPR2 P25090 1/20 0.30

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
SCHEMBL7424236 1.00 ITGB3 (0.36) ITGB3ITGA2BAVPR2AVPR1ASMN1; SMN2
SCHEMBL7419108 0.89 ITGB3 (0.35) ITGB3ITGA2BAVPR2AVPR1ASMN1; SMN2
SCHEMBL8125482 0.88 ITGB3 (0.33) ITGB3ITGA2BAVPR2AVPR1ASMN1; SMN2
SCHEMBL8118294 0.88 ITGB3 (0.33) ITGB3ITGA2BAVPR2AVPR1ASMN1; SMN2
SCHEMBL9029476 0.87 ITGB3 (0.36) ITGB3ITGA2BAVPR2AVPR1A
SCHEMBL9029463 0.87 ITGB3 (0.36) ITGB3ITGA2BAVPR2AVPR1A
SCHEMBL8107039 0.86 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL8121584 0.86 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL8115483 0.86 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL8118631 0.86 CYP1A2 (0.35) ITGB3ITGA2BAVPR2AVPR1AACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3034046-B2 2000-04-17 JP claimed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO claimed