SCHEMBL7274763

SCHEMBL7274763

N=C(N)c1cccc(C(=O)C(N)[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
ITGB3 P05106 12/20 0.40
ITGA2B P08514 12/20 0.40
ITGAV P06756 2/20 0.40
F10 P00742 5/20 0.39
PRSS1 P07477 3/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F2 P00734 3/20 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
SCHEMBL7284940 0.92 F10 (0.41) OPRM1OPRD1ITGB3ITGA2BITGAV
SCHEMBL7275515 0.89 ALDH1A1 (0.38) OPRM1OPRD1OPRK1KCNH2ALDH1A1
SCHEMBL7283562 0.88 ALDH1A1 (0.38) OPRM1OPRD1ITGB3ITGA2BOPRK1
SCHEMBL7273436 0.86 ALDH1A1 (0.36) OPRM1OPRD1F10PRSS1OPRK1
SCHEMBL7284030 0.85 ALDH1A1 (0.39) OPRM1OPRD1ITGB3ITGA2BOPRK1
SCHEMBL7276485 0.85 ITGB3 (0.41) ITGB3ITGA2BITGAVALDH1A1TSHR
SCHEMBL7282388 0.83 ALDH1A1 (0.39) ITGB3ITGA2BKCNH2ALDH1A1TSHR
SCHEMBL7274653 0.82 ITGB3 (0.40) OPRM1OPRD1ITGB3ITGA2BITGAV
SCHEMBL8881992 0.82 ITGB3 (0.39) ITGB3ITGA2BITGAVF2
SCHEMBL7283239 0.82 DRD2 (0.39) OPRM1OPRD1F10PRSS1OPRK1

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