SCHEMBL5132677

SCHEMBL5132677

Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cn2c(C(=O)O)cc3ccccc32)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CCR2 P41597 2/20 0.41
CETP P11597 13/20 0.41
TACR1 P25103 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL5134134 0.90 CETP (0.42) CETP
SCHEMBL5132745 0.90 KDM4E (0.46) CETP
SCHEMBL5134169 0.81 KDM4E (0.47) CETP
SCHEMBL5624431 0.77 TACR1 (0.42) CETPTACR1
SCHEMBL5623389 0.76 MEN1 (0.42) CETPTACR1
SCHEMBL5133528 0.73 MCL1 (0.43) CETPTACR1
SCHEMBL5133286 0.72 CETP (0.46) CETP
SCHEMBL5049463 0.72 CETP (0.42) CETPTACR1
SCHEMBL5046256 0.72 CETP (0.43) CETPTACR1
SCHEMBL5133285 0.72 CETP (0.42) CETPTACR1

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-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