SCHEMBL5050488

SCHEMBL5050488

Cc1cccc2cc(COS(C)(=O)=O)c(NC(C3CC3)C3CC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.38
PIK3CD O00329 7/20 0.37
CRHR1 P34998 4/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.34
PRNP P04156 1/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL5050224 0.81 RXFP1 (0.43) RXFP1PIK3CDCRHR1MAPTKDM4E
SCHEMBL5043225 0.81 RXFP1 (0.40) RXFP1PIK3CDCRHR1MAPTKDM4E
SCHEMBL5049278 0.74 KDM4E (0.37) RXFP1CRHR1MAPTKDM4EL3MBTL1
SCHEMBL5799948 0.71 L3MBTL1 (0.43) RXFP1PIK3CDKDM4EL3MBTL1DRD4
SCHEMBL18259015 0.69 SCN2A (0.45) RXFP1PIK3CDMAPTKDM4EL3MBTL1
SCHEMBL5049263 0.67 TACR1 (0.35) RXFP1PIK3CD
SCHEMBL18259019 0.66 KDM4E (0.36) RXFP1PIK3CDMAPTKDM4EL3MBTL1
SCHEMBL19178435 0.66 KDM4E (0.46) MAPTKDM4EKMT2ATDP1POLB
SCHEMBL18259014 0.65 MDM2 (0.33) RXFP1PIK3CD
SCHEMBL1229717 0.62 KEAP1 (0.42) MAPTATMTSHR

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