SCHEMBL7379952

SCHEMBL7379952

CN(C)c1cc(NC(=O)c2cccc(NC=NN)c2)ccc1CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.48
ITGA2B P08514 7/20 0.48
ITGAV P06756 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
ITGB1 P05556 2/20 0.45
ITGB5 P18084 2/20 0.45
KCNK3 O14649 2/20 0.41
KCNK9 Q9NPC2 1/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
BCHE P06276 1/20 0.40
NPC1 O15118 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
F2R P25116 1/20 0.39

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
SCHEMBL7380126 0.88 ITGB3 (0.53) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7379949 0.87 ITGB3 (0.51) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7378628 0.87 SMN1; SMN2 (0.55) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7376564 0.85 ITGB3 (0.67) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7380359 0.82 KCNK3 (0.46) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7508102 0.82 ITGB3 (0.48) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7861974 0.81 ITGB3 (0.64) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7373424 0.81 ITGB3 (0.64) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7378811 0.79 PTGER4 (0.48) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7380550 0.78 ITGB3 (0.43) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP claimed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP claimed
US-6251944-B1 (VITRONECTIN RECEPTOR) INTEGRIN ANTAGONIST, USEFUL FOR TREATING ANGIOGENESIS, TUMOR GROWTH, TUMOR METASTASIS, OSTEOPOROSIS AND HUMORAL HYPERCALCEMIA OF MALIGNANCY G. D. SEARLE & COMPANY 2001-06-26 US claimed
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP disclosed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
US-6251944-B1 (VITRONECTIN RECEPTOR) INTEGRIN ANTAGONIST, USEFUL FOR TREATING ANGIOGENESIS, TUMOR GROWTH, TUMOR METASTASIS, OSTEOPOROSIS AND HUMORAL HYPERCALCEMIA OF MALIGNANCY G. D. SEARLE & COMPANY 2001-06-26 US disclosed
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed