SCHEMBL5050231

SCHEMBL5050231

Cc1cccc2cc(CO)c(N(CC3CC3)CC3CC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
PIK3CD O00329 11/20 0.40
PARP14 Q460N5 2/20 0.38
CRHR1 P34998 2/20 0.38
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5043226 0.87 PIK3CD (0.40) S1PR1RXFP1PIK3CDPARP14CRHR1
SCHEMBL18265670 0.82 PIK3CD (0.37) S1PR1RXFP1PIK3CDPARP14CRHR1
SCHEMBL5042709 0.79 PARP14 (0.38) RXFP1PIK3CDPARP14CRHR1
SCHEMBL15702914 0.77 PIK3CD (0.38) S1PR1RXFP1PIK3CDPARP14CRHR1
SCHEMBL14472768 0.76 SCN2A (0.45) S1PR1RXFP1PIK3CDDRD4DRD3
SCHEMBL5046472 0.76 DRD4 (0.43) RXFP1PIK3CDDRD4DRD3L3MBTL1
SCHEMBL19189681 0.74 ALDH1A1 (0.35) S1PR1PIK3CD
SCHEMBL14472797 0.74 S1PR1 (0.35) S1PR1RXFP1PIK3CDL3MBTL1
SCHEMBL4509933 0.73 CRHR1 (0.45) MEN1KMT2ACRHR1
SCHEMBL14602966 0.73 TACR1 (0.36) S1PR1PIK3CDCRHR1

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 4 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
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