SCHEMBL5043225

SCHEMBL5043225

Cc1cccc2cc(CN)c(NC(C3CC3)C3CC3)nc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
PIK3CD O00329 9/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SOS1 Q07889 1/20 0.35
CRHR1 P34998 2/20 0.35
ATM Q13315 1/20 0.34

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 0.88 RXFP1 (0.43) RXFP1PIK3CDL3MBTL1DRD4DRD3
SCHEMBL5050488 0.81 RXFP1 (0.38) RXFP1PIK3CDL3MBTL1DRD4DRD3
SCHEMBL5049278 0.78 KDM4E (0.37) RXFP1L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL5799948 0.77 L3MBTL1 (0.43) RXFP1PIK3CDL3MBTL1DRD4DRD3
SCHEMBL18259015 0.75 SCN2A (0.45) RXFP1PIK3CDL3MBTL1DRD4DRD3
SCHEMBL5049263 0.75 TACR1 (0.35) RXFP1PIK3CD
SCHEMBL18259019 0.73 KDM4E (0.36) RXFP1PIK3CDL3MBTL1DRD4DRD3
SCHEMBL18259014 0.73 MDM2 (0.33) RXFP1PIK3CD
SCHEMBL5042833 0.72 CETP (0.39) PIK3CD
SCHEMBL5133083 0.72 MDM2 (0.33) PIK3CD

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