SCHEMBL7283166

SCHEMBL7283166

N#Cc1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.71
ITGA2B P08514 1/20 0.71
MMP2 P08253 7/20 0.52
PPARA Q07869 3/20 0.47
PPARD Q03181 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP3 P08254 6/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
PPARG P37231 2/20 0.41
FFAR1 O14842 1/20 0.40
HRH2 P25021 4/20 0.40
HRH1 P35367 4/20 0.40
HRH3 Q9Y5N1 4/20 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
SCHEMBL7284201 1.00 ITGB3 (0.71) ITGB3ITGA2BMMP2PPARAPPARD
SCHEMBL7282562 0.88 ITGB3 (0.56) ITGB3ITGA2BMMP2MEN1KMT2A
SCHEMBL7276433 0.88 ITGB3 (0.56) ITGB3ITGA2BMMP2MEN1KMT2A
SCHEMBL7283083 0.88 ITGB3 (0.56) ITGB3ITGA2BMMP2MEN1KMT2A
SCHEMBL7283786 0.85 ITGB3 (0.73) ITGB3ITGA2BMMP2PPARAPPARD
SCHEMBL7285264 0.85 ITGB3 (0.53) ITGB3ITGA2BMMP2MEN1KMT2A
SCHEMBL7281404 0.85 ITGB3 (0.52) ITGB3ITGA2BMMP2MEN1KMT2A
SCHEMBL7276254 0.85 ITGB3 (0.72) ITGB3ITGA2BMMP2PPARAPPARD
Fradafiban SCHEMBL7280818 0.84 ITGB3 (0.98) ITGB3ITGA2BHRH3
SCHEMBL8884076 0.84 ITGB3 (0.52) ITGB3ITGA2BMMP2MEN1KMT2A

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