SCHEMBL7274776

SCHEMBL7274776

N=C(N)c1cccc(C(=O)NC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.45
ITGA2B P08514 9/20 0.45
F10 P00742 5/20 0.44
PRSS1 P07477 4/20 0.44
ITGAV P06756 2/20 0.44
HTR1A P08908 2/20 0.43
TPSAB1 Q15661 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40

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
Water SCHEMBL7275070 0.92 DRD4 (0.42) ITGB3ITGA2BF10PRSS1ITGAV
SCHEMBL7284946 0.92 F10 (0.48) ITGB3ITGA2BF10PRSS1ITGAV
Water SCHEMBL7271805 0.92 DRD4 (0.41) ITGB3ITGA2BF10ITGAV
Hydrochloric Acid SCHEMBL7274910 0.91 HTR1A (0.42) ITGB3ITGA2BF10PRSS1ITGAV
Hydrochloric Acid SCHEMBL7272974 0.90 F10 (0.51) ITGB3ITGA2BF10PRSS1ITGAV
SCHEMBL7272267 0.90 F10 (0.41) ITGB3ITGA2BF10PRSS1ITGAV
Water SCHEMBL7281948 0.90 PPARG (0.41) ITGB3ITGA2BF10ITGAVHTR1A
SCHEMBL7275519 0.89 HTR1A (0.44) HTR1AOPRM1OPRD1
SCHEMBL7276363 0.89 F10 (0.42) ITGB3ITGA2BF10PRSS1ITGAV
Water SCHEMBL7273367 0.89 F10 (0.45) ITGB3ITGA2BF10ITGAV

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