SCHEMBL7274585

SCHEMBL7274585

N=C(N)Nc1cccc(-c2cccc(C(=O)NC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.42
ITGA2B P08514 8/20 0.42
ITGAV P06756 2/20 0.42
SENP1 Q9P0U3 4/20 0.40
HTR1A P08908 2/20 0.39
F10 P00742 2/20 0.37
NR1H4 Q96RI1 1/20 0.36
F2 P00734 2/20 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
SCHEMBL7280479 0.95 F10 (0.42) ITGB3ITGA2BITGAVSENP1F10
SCHEMBL7284946 0.89 F10 (0.48) ITGB3ITGA2BITGAVHTR1AF10
SCHEMBL7273443 0.87 HTR1A (0.42) SENP1HTR1A
SCHEMBL7274776 0.87 ITGB3 (0.45) ITGB3ITGA2BITGAVHTR1AF10
Hydrochloric Acid SCHEMBL7272974 0.86 F10 (0.51) ITGB3ITGA2BITGAVF10F2
Water SCHEMBL7281948 0.86 PPARG (0.41) ITGB3ITGA2BITGAVHTR1AF10
SCHEMBL7272267 0.86 F10 (0.41) ITGB3ITGA2BITGAVHTR1AF10
SCHEMBL7283072 0.85 ITGB3 (0.37) ITGB3ITGA2BITGAVF10F2
Hydrochloric Acid SCHEMBL8882502 0.84 ITGB3 (0.37) ITGB3ITGA2BITGAVF10F2
Hydrochloric Acid SCHEMBL7281922 0.84 MAPT (0.38) ITGB3ITGA2BITGAVSENP1F2

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