SCHEMBL7818397

SCHEMBL7818397

CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC[C@@H](C(=O)NCC(NC(=O)c3ccccc3)C(=O)O)C2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.59
ITGA2B P08514 14/20 0.59
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
F2R P25116 8/20 0.49
USP30 Q70CQ3 1/20 0.46
ACKR3 P25106 1/20 0.44
YAP1 P46937 1/20 0.43
ACHE P22303 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
SCHEMBL6538573 0.94 ITGB3 (0.54) ITGB3ITGA2BKDM4EPKMF2R
SCHEMBL7498836 0.93 ITGB3 (0.54) ITGB3ITGA2BKDM4EPKMF2R
SCHEMBL7440093 0.90 KDM4E (0.56) ITGB3ITGA2BKDM4EPKMF2R
SCHEMBL7500565 0.88 ITGB3 (0.72) ITGB3ITGA2BF2RUSP30ACHE
SCHEMBL6936430 0.88 ITGB3 (0.55) ITGB3ITGA2BF2R
SCHEMBL6937901 0.88 ITGB3 (0.55) ITGB3ITGA2BF2R
SCHEMBL7452081 0.86 ITGB3 (0.75) ITGB3ITGA2BF2R
SCHEMBL7503852 0.86 ITGB3 (0.54) ITGB3ITGA2BKDM4EPKMF2R
SCHEMBL7818399 0.85 ITGB3 (0.55) ITGB3ITGA2BKDM4EPKMF2R
SCHEMBL7446356 0.85 KDM4E (0.49) ITGB3ITGA2BKDM4EPKMUSP30

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
EP-0669912-B1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-05 EP disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP disclosed