SCHEMBL7380583

SCHEMBL7380583

NN=CNc1cccc(C(=O)NN(C(=O)c2ccccc2)C(Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 3/20 0.39
SLC7A5 Q01650 1/20 0.38
HPGDS O60760 1/20 0.36
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36
ITGAV P06756 3/20 0.36
ITGB1 P05556 2/20 0.35
ITGB5 P18084 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NR1H4 Q96RI1 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TPH1 P17752 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
SCHEMBL7380590 1.00 GPR132 (0.39) GPR132SLC7A5HPGDSITGB3ITGA2B
SCHEMBL7375609 0.89 ALDH1A1 (0.39) GPR132SLC7A5ITGB3ITGA2BITGAV
SCHEMBL7375604 0.89 ALDH1A1 (0.39) GPR132SLC7A5ITGB3ITGA2BITGAV
SCHEMBL7377950 0.89 ALDH1A1 (0.39) GPR132ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL7466505 0.87 ITGB3 (0.40) GPR132SLC7A5ITGB3ITGA2BITGAV
SCHEMBL7376802 0.87 GPR132 (0.35) GPR132SLC7A5HPGDSITGB3ITGA2B
SCHEMBL7409613 0.87 ALDH1A1 (0.38) GPR132ALDH1A1NR1H4SMN1; SMN2CA1
SCHEMBL7376806 0.87 GPR132 (0.35) GPR132SLC7A5HPGDSITGB3ITGA2B
SCHEMBL7466500 0.87 ITGB3 (0.40) GPR132SLC7A5ITGB3ITGA2BITGAV
SCHEMBL7409609 0.87 ALDH1A1 (0.38) GPR132ALDH1A1NR1H4SMN1; SMN2CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed