SCHEMBL7496757

SCHEMBL7496757

COc1ccccc1CC[C@H](CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.47
ITGA2B P08514 9/20 0.47
F2R P25116 4/20 0.46
NPC1 O15118 1/20 0.42
APOBEC3A P31941 1/20 0.42
RAB9A P51151 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
BCHE P06276 3/20 0.42
ACHE P22303 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41
TGFBR1 P36897 1/20 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
SCHEMBL7843159 0.95 ITGB3 (0.46) ITGB3ITGA2BF2RNPC1APOBEC3A
SCHEMBL7501795 0.91 ITGB3 (0.54) ITGB3ITGA2BF2RNPC1RAB9A
SCHEMBL7500231 0.89 ITGB3 (0.45) ITGB3ITGA2BF2RNPC1RAB9A
SCHEMBL7492120 0.88 ITGB3 (0.47) ITGB3ITGA2BF2RNPC1RAB9A
Hydrochloric Acid SCHEMBL7507317 0.88 ITGB3 (0.59) ITGB3ITGA2BF2R
SCHEMBL7498497 0.87 ITGB3 (0.48) ITGB3ITGA2BF2RRAB9APKM
SCHEMBL7496753 0.86 ITGB3 (0.56) ITGB3ITGA2BF2R
SCHEMBL7440093 0.85 KDM4E (0.56) ITGB3ITGA2BF2RKDM4EPKM
SCHEMBL7843158 0.84 ITGB3 (0.49) ITGB3ITGA2BF2RBCHEACHE
SCHEMBL7504289 0.84 ITGB3 (0.52) ITGB3ITGA2BF2RNPC1RAB9A

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
US-6380215-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION SUCH AS ARTERIAL THROMBOSIS, ARTERIAL SCLEROSIS, ISCHEMIC HEART DISEASES FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2002-04-30 US disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP disclosed