SCHEMBL7846014

SCHEMBL7846014

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.51
ITGA2B P08514 8/20 0.51
F2R P25116 3/20 0.49
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
BMP1 P13497 1/20 0.43
TP53 P04637 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7501495 0.94 ITGB3 (0.49) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7501795 0.87 ITGB3 (0.54) ITGB3ITGA2BF2RALDH1A1KMT2A
SCHEMBL7500231 0.87 ITGB3 (0.45) ITGB3ITGA2BF2RALDH1A1KMT2A
SCHEMBL7492120 0.86 ITGB3 (0.47) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7846012 0.86 ITGB3 (0.60) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7498497 0.85 ITGB3 (0.48) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7503555 0.84 ITGB3 (0.47) ITGB3ITGA2BF2RKMT2A
SCHEMBL7501491 0.84 ITGB3 (0.54) ITGB3ITGA2BF2RALDH1A1MEN1
Hydrochloric Acid SCHEMBL7502230 0.84 ITGB3 (0.53) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7496757 0.83 ITGB3 (0.47) ITGB3ITGA2BF2RALDH1A1MAPK1

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