SCHEMBL5133328

SCHEMBL5133328

Cc1cc(C=O)c(NC(C2CC2)C2CC2)nc1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.32
ADORA1 P30542 2/20 0.32
HTR2B P41595 1/20 0.32
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL5623901 0.85 CRHR1 (0.34) CRHR1ADORA1HTR2BADORA3ADORA2A
SCHEMBL5049413 0.72 CRHR1 (0.35) CRHR1ADORA1ADORA3
SCHEMBL5626968 0.71 BCDIN3D (0.35) CRHR1ADORA1ADORA3ADORA2A
SCHEMBL5132599 0.69 CRHR1 (0.36) CRHR1ADORA1HTR2BADORA3ADORA2A
SCHEMBL5133331 0.67 CRHR1 (0.35) CRHR1
SCHEMBL5043548 0.60 IRAK4 (0.40)
SCHEMBL16722921 0.60 NOS3 (0.34)
SCHEMBL10630036 0.57 ALDH1A1 (0.37)
SCHEMBL27311076 0.57 TYR (0.44)
SCHEMBL12354215 0.57 MAPK14 (0.34)

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-1981342-B1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDYS LAB LTD DR (IN) 2016-11-30 EP disclosed
EP-1981342-A1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS Reddy US Therapeutics, Inc. (US) 2008-10-22 EP disclosed
WO-2007075194-A1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDY US THERAPEUTICS, INC. (US) 2007-07-05 WO disclosed