SCHEMBL7276108

SCHEMBL7276108

N=C(N)NCC1Cc2ccc(S(=O)(=O)NC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.40
PNMT P11086 3/20 0.38
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
NPY1R P25929 1/20 0.35
NPY5R Q15761 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL7276521 0.91 PNMT (0.38) TBXA2RPNMTITGB3ITGA2BSMN1; SMN2
Water SCHEMBL7283376 0.90 TBXA2R (0.41) TBXA2RPNMTNPY1RNPY5RSMN1; SMN2
Water SCHEMBL7275459 0.88 PNMT (0.41) TBXA2RPNMTSMN1; SMN2PKM
SCHEMBL7273778 0.86 TBXA2R (0.39) TBXA2RPNMTNPY1RNPY5RSMN1; SMN2
Water SCHEMBL7283102 0.86 ITGB3 (0.41) ITGB3ITGA2B
Water SCHEMBL7275616 0.85 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7273720 0.84 PNMT (0.39) TBXA2RPNMTSMN1; SMN2PKM
Water SCHEMBL7284228 0.82 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7276520 0.80 SMN1; SMN2 (0.35) PNMTNPY5RSMN1; SMN2PKM
SCHEMBL7276101 0.79 HTR6 (0.45) ITGB3ITGA2BSMN1; SMN2PKM

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