SCHEMBL8125482

SCHEMBL8125482

CCC(C(=O)O)C(C)NC(=O)CC1CCCN(c2ccc(C=NN)cc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
AVPR2 P30518 2/20 0.31
AVPR1A P37288 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8118294 1.00 ITGB3 (0.33) ITGB3ITGA2BAVPR2AVPR1ACYP1A2
SCHEMBL8117806 0.95 HTT (0.31) ITGB3ITGA2BHTT
SCHEMBL8118631 0.89 CYP1A2 (0.35) ITGB3ITGA2BAVPR2AVPR1ACYP1A2
SCHEMBL8115483 0.89 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL8107039 0.89 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL8121584 0.89 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7424236 0.88 ITGB3 (0.36) ITGB3ITGA2BAVPR2AVPR1AHSD17B10
SCHEMBL7424245 0.88 ITGB3 (0.36) ITGB3ITGA2BAVPR2AVPR1AHSD17B10
SCHEMBL8108831 0.86 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL7532349 0.85 UGCG (0.36) KDM4ERAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP claimed