SCHEMBL12423558

SCHEMBL12423558

CC(C)c1nc2c(c3c1[C@@H](c1ccc(C(F)(F)F)nc1)OC31CCOCC1)C(O)CC1(CCC1)[C@H]2O

nearest known ligand 0.94

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.94

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
SCHEMBL663262 1.00 CETP (0.94) CETP
SCHEMBL15170442 0.97 CETP (1.00) CETP
SCHEMBL14708774 0.97 CETP (1.00) CETP
SCHEMBL20080491 0.97 CETP (1.00) CETP
SCHEMBL20080651 0.97 CETP (1.00) CETP
SCHEMBL20080735 0.92 CETP (0.91) CETP
SCHEMBL20080586 0.92 CETP (0.88) CETP
SCHEMBL12423539 0.90 CETP (0.85) CETP
SCHEMBL16258327 0.90 CETP (0.85) CETP
SCHEMBL663409 0.90 CETP (0.85) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536733-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2014-11-26 EP disclosed
WO-2011101424-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 WO disclosed