SCHEMBL12423545

SCHEMBL12423545

CC(C)c1nc2c(c3c1[C@@H](c1ccc(C(C)(C)C)cc1)OC31CCOCC1)C(O)CC(C)(C)C2

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.86

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
SCHEMBL663166 1.00 CETP (0.86) CETP
SCHEMBL12423512 0.93 CETP (1.00) CETP
SCHEMBL664642 0.93 CETP (1.00) CETP
SCHEMBL12423522 0.92 CETP (1.00) CETP
SCHEMBL663596 0.92 CETP (1.00) CETP
SCHEMBL14698009 0.92 CETP (1.00) CETP
Hydrochloric Acid SCHEMBL14697595 0.91 CETP (0.98) CETP
Bromide SCHEMBL14698075 0.91 CETP (0.98) CETP
SCHEMBL664158 0.90 CETP (0.80) CETP
SCHEMBL12423808 0.90 CETP (0.80) 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