SCHEMBL7846012

SCHEMBL7846012

CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC[C@@H](C(=O)NC(CCc3ccc4c(c3)OCO4)CC(=O)O)C2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.60
ITGA2B P08514 19/20 0.60
F2R P25116 8/20 0.58
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7501491 0.94 ITGB3 (0.54) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7500224 0.88 ITGB3 (0.53) ITGB3ITGA2BF2R
SCHEMBL7501790 0.87 ITGB3 (0.64) ITGB3ITGA2BF2R
SCHEMBL7492116 0.86 ITGB3 (0.54) ITGB3ITGA2BF2R
SCHEMBL7846014 0.86 ITGB3 (0.51) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7498493 0.85 ITGB3 (0.56) ITGB3ITGA2BF2R
SCHEMBL7501495 0.84 ITGB3 (0.49) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7503553 0.84 ITGB3 (0.55) ITGB3ITGA2BF2R
SCHEMBL7496753 0.84 ITGB3 (0.56) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7502222 0.84 ITGB3 (0.62) ITGB3ITGA2BF2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP disclosed
EP-0669912-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-06 EP disclosed
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 WO disclosed