SCHEMBL2139704

SCHEMBL2139704

CCOC(=O)N1c2cc(C)c(C)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1C.CCOC(=O)N1c2cc(CC)c(CC)cc2C(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)CC1C

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.64

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
SCHEMBL992567 0.97 CETP (0.68) CETP
SCHEMBL1436790 0.97 CETP (0.68) CETP
SCHEMBL993871 0.97 CETP (0.68) CETP
SCHEMBL6587103 0.97 CETP (0.68) CETP
SCHEMBL6198731 0.92 CETP (0.66) CETP
SCHEMBL6198729 0.92 CETP (0.66) CETP
SCHEMBL6587963 0.92 CETP (0.66) CETP
SCHEMBL6196050 0.91 CETP (0.65) CETP
SCHEMBL6592316 0.91 CETP (0.65) CETP
SCHEMBL6590312 0.90 CETP (0.64) CETP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897175-B2 Cholesteryl ester transfer protein (CETP) such as torcetrapib; 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase); two drugs are separate from each other; improved chemical stability of the HMG-CoA reductase inhibitor BEND RESEARCH, INC. (US) 2011-03-01 US disclosed