SCHEMBL5486017

SCHEMBL5486017

O=C(O)CC1Cc2ccc(CCCc3nc4ccccc4[nH]3)cc2Cc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.65
ITGAV P06756 6/20 0.65
ITGA2B P08514 2/20 0.47
ITGB5 P18084 2/20 0.47
CHRM1 P11229 1/20 0.47
ITGB1 P05556 1/20 0.45
TBXA2R P21731 1/20 0.43
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 2/20 0.40
HTR2A P28223 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL8383177 0.88 ITGB3 (0.54) ITGB3ITGAVCHRM1KDM4E
SCHEMBL7091404 0.80 ITGB3 (0.71) ITGB3ITGAVITGA2BITGB5POLB
SCHEMBL6945685 0.79 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7091035 0.79 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7176204 0.78 HTR2A (0.50) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7168342 0.73 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL11677942 0.71 MTNR1A (0.60) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6643325 0.71 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6642395 0.71 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6646029 0.71 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB1

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
JP-3960482-B2 2007-08-15 JP claimed
EP-0910563-B1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP claimed
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US claimed
EP-0910563-A4 1999-04-28 EP claimed
EP-0910563-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-28 EP claimed
WO-1997001540-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-16 WO claimed
EP-0910563-B1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US disclosed