SCHEMBL7276493

SCHEMBL7276493

N=C(N)c1ccc(CCCC(=O)NC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.47
ITGA2B P08514 10/20 0.47
F2 P00734 7/20 0.44
F10 P00742 2/20 0.40
PLG P00747 2/20 0.40
KLKB1 P03952 2/20 0.40
PROC P04070 2/20 0.40
ITGAV P06756 1/20 0.39

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
SCHEMBL7276363 0.92 F10 (0.42) ITGB3ITGA2BF2F10ITGAV
Hydrochloric Acid SCHEMBL7283577 0.91 ITGB3 (0.41) ITGB3ITGA2BF2F10PLG
SCHEMBL7276721 0.90 TRPV1 (0.43) F2F10PLGKLKB1PROC
SCHEMBL7274533 0.89 TSHR (0.40) ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL7289827 0.88 ALDH1A1 (0.39)
SCHEMBL7274469 0.88 LMNA (0.42) ITGB3ITGA2BF2
SCHEMBL7282210 0.87 SIGMAR1 (0.44)
SCHEMBL7284310 0.87 NAMPT (0.41) ITGB3ITGA2BF2
SCHEMBL7272690 0.87 NAMPT (0.41) ITGB3ITGA2BF2
SCHEMBL7272971 0.87 NAMPT (0.41) ITGB3ITGA2BF2

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