SCHEMBL7284946

SCHEMBL7284946

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.48
KLKB1 P03952 1/20 0.42
ITGB3 P05106 11/20 0.41
ITGA2B P08514 11/20 0.41
ITGAV P06756 2/20 0.41
PLG P00747 1/20 0.41
PROC P04070 1/20 0.41
HTR1A P08908 2/20 0.40
PRSS1 P07477 1/20 0.38

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
Hydrochloric Acid SCHEMBL7272974 0.95 F10 (0.51) F10KLKB1ITGB3ITGA2BITGAV
Water SCHEMBL7273367 0.93 F10 (0.45) F10ITGB3ITGA2BITGAV
SCHEMBL7274776 0.92 ITGB3 (0.45) F10ITGB3ITGA2BITGAVHTR1A
Hydrochloric Acid SCHEMBL7272455 0.92 F10 (0.45) F10KLKB1ITGB3ITGA2BPLG
SCHEMBL7274585 0.89 ITGB3 (0.42) F10ITGB3ITGA2BITGAVHTR1A
Hydrochloric Acid SCHEMBL7275887 0.89 F10 (0.49) F10PLGPROCHTR1APRSS1
SCHEMBL7273443 0.89 HTR1A (0.42) HTR1A
SCHEMBL7280479 0.88 F10 (0.42) F10ITGB3ITGA2BITGAV
Water SCHEMBL7275070 0.88 DRD4 (0.42) F10KLKB1ITGB3ITGA2BITGAV
SCHEMBL7283245 0.88 DRD2 (0.43) F10HTR1A

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