SCHEMBL7379949

SCHEMBL7379949

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
ITGAV P06756 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
ITGB1 P05556 2/20 0.47
ITGB5 P18084 2/20 0.47
KCNK3 O14649 2/20 0.43
KCNK9 Q9NPC2 1/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
ROCK2 O75116 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
CHUK O15111 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PAK4 O96013 1/20 0.42

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
SCHEMBL7379952 0.87 ITGB3 (0.48) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7380122 0.87 ITGB3 (0.56) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7378623 0.86 SMN1; SMN2 (0.58) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7376558 0.84 ITGB3 (0.70) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7458369 0.83 ITGB3 (0.72) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7380345 0.82 KCNK3 (0.50) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7375380 0.82 ITGB3 (0.43) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7508093 0.81 ITGB3 (0.51) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7373419 0.81 ITGB3 (0.66) ITGB3ITGA2BITGAVSMN1; SMN2ITGB1
SCHEMBL7861970 0.80 ITGB3 (0.76) 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