SCHEMBL7282109

SCHEMBL7282109

COC(=O)C[C@@H]1C[C@@H](C(N)c2ccc(-c3ccc(C(=N)N)cc3)cc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.38
ITGA2B P08514 7/20 0.38
F2 P00734 4/20 0.37
F10 P00742 1/20 0.36
PRSS1 P07477 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
SCHEMBL7276057 0.91 ITGB3 (0.42) ITGB3ITGA2BF2
SCHEMBL7273744 0.87 HTR1A (0.38)
SCHEMBL7282113 0.82 ITGB3 (0.38) ITGB3ITGA2BF2F10
Hydrochloric Acid SCHEMBL7281006 0.81 ITGB3 (0.44) ITGB3ITGA2BF2F10
Hydrochloric Acid SCHEMBL7283412 0.81 ITGB3 (0.44) ITGB3ITGA2BF2F10
Hydrochloric Acid SCHEMBL7279790 0.81 F10 (0.42) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL7271812 0.81 F2 (0.36) ITGB3ITGA2BF2F10
Hydrochloric Acid SCHEMBL7283450 0.80 F2 (0.39) ITGB3ITGA2BF2F10
Hydrochloric Acid SCHEMBL7275149 0.80 ITGB3 (0.36) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7274705 0.79 MCHR1 (0.37) PRSS1

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