SCHEMBL7274663

SCHEMBL7274663

NC1Cc2ccc(C(=O)NC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.40
ITGA2B P08514 10/20 0.40
HTR1A P08908 2/20 0.38
ITGAV P06756 3/20 0.36
MTNR1A P48039 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
KDM1A O60341 1/20 0.35

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 SCHEMBL7281668 0.91 ITGB3 (0.38) ITGB3ITGA2BHTR1AITGAVMTNR1A
Water SCHEMBL7273109 0.88 ITGB3 (0.41) ITGB3ITGA2BHTR1AITGAVALDH1A1
Water SCHEMBL7283102 0.88 ITGB3 (0.41) ITGB3ITGA2BHTR1AITGAV
SCHEMBL7274430 0.87 MTNR1A (0.35) ITGB3ITGA2BMTNR1AALDH1A1TSHR
SCHEMBL7284870 0.87 ITGB3 (0.41) ITGB3ITGA2BHTR1AITGAVMTNR1A
SCHEMBL7283983 0.86 ITGB3 (0.43) ITGB3ITGA2BITGAV
SCHEMBL7287003 0.86 ITGB3 (0.43) ITGB3ITGA2BHTR1AITGAVMTNR1A
SCHEMBL7276523 0.86 ITGB3 (0.43) ITGB3ITGA2BOPRM1OPRD1KDM1A
SCHEMBL7271758 0.85 SIGMAR1 (0.38) ITGB3ITGA2BHTR1AMTNR1AOPRM1
SCHEMBL7284329 0.85 ACACB (0.41) ITGB3ITGA2BHTR1AOPRM1

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