SCHEMBL7284940

SCHEMBL7284940

N=C(N)c1ccc(-c2cccc(C(=O)C(N)[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.41
ITGB3 P05106 12/20 0.40
ITGA2B P08514 12/20 0.40
F2 P00734 3/20 0.38
PRSS1 P07477 2/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
ITGAV P06756 2/20 0.37
PTGER4 P35408 1/20 0.37
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL7274763 0.92 OPRM1 (0.40) F10ITGB3ITGA2BF2PRSS1
SCHEMBL7273436 0.88 ALDH1A1 (0.36) F10F2PRSS1OPRM1OPRD1
SCHEMBL7283239 0.88 DRD2 (0.39) F10F2PRSS1OPRM1OPRD1
SCHEMBL7276057 0.85 ITGB3 (0.42) ITGB3ITGA2BF2ITGAV
SCHEMBL7275515 0.85 ALDH1A1 (0.38) OPRM1OPRD1PTGER4OPRK1KCNH2
SCHEMBL7283562 0.84 ALDH1A1 (0.38) ITGB3ITGA2BOPRM1OPRD1PTGER4
SCHEMBL7276485 0.84 ITGB3 (0.41) ITGB3ITGA2BF2ITGAV
SCHEMBL7284030 0.83 ALDH1A1 (0.39) ITGB3ITGA2BOPRM1OPRD1PTGER4
SCHEMBL7284946 0.82 F10 (0.48) F10ITGB3ITGA2BPRSS1ITGAV
SCHEMBL7275019 0.81 ITGB3 (0.40) ITGB3ITGA2BF2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed