SCHEMBL7275067

SCHEMBL7275067

CSc1ccc(CCCN2C(=O)[C@H](CC(=O)O)C[C@H]2COc2ccc(-c3ccc(C(=N)N)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.49
ITGA2B P08514 15/20 0.49
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
LTA4H P09960 1/20 0.33

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 SCHEMBL7280341 0.92 ITGB3 (0.40) ITGB3ITGA2BFFAR1FFAR4HRH2
SCHEMBL7273468 0.90 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7276387 0.90 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7283779 0.88 ITGB3 (0.49) ITGB3ITGA2BLTA4H
Water SCHEMBL7275136 0.88 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7283465 0.87 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7283093 0.87 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7283573 0.87 ITGB3 (0.49) ITGB3ITGA2B
Water SCHEMBL8881986 0.84 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL8882295 0.83 ITGB3 (0.44) ITGB3ITGA2B

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