SCHEMBL5134237

SCHEMBL5134237

Cn1nnc(N(Cc2cnc3ccccc3c2NC(C2CC2)C2CC2)c2ccccc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 18/20 0.35
TACR1 P25103 2/20 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
SCHEMBL5046871 0.87 CETP (0.38) CETPTACR1
SCHEMBL5134236 0.84 TACR1 (0.36) CETPTACR1
SCHEMBL5042942 0.79 CETP (0.37) CETP
SCHEMBL5049261 0.74 TACR1 (0.39) TACR1
SCHEMBL5050177 0.73 CETP (0.36) CETPTACR1
SCHEMBL5043274 0.73 TACR1 (0.43) TACR1
SCHEMBL5046870 0.69 TACR1 (0.38) CETPTACR1
SCHEMBL14602979 0.69 TACR1 (0.38) CETPTACR1
SCHEMBL5050193 0.68 TACR1 (0.32) CETPTACR1
SCHEMBL5133794 0.67 CETP (0.36) 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 claimed
WO-2007075194-A1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDY US THERAPEUTICS, INC. (US) 2007-07-05 WO claimed