SCHEMBL12423306

SCHEMBL12423306

CC1(C)Cc2nc(C3CCCC3)c3c(c2C(O)C1)C1(CCCC1)O[C@@H]3c1ccc(C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 1.00

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
SCHEMBL664925 1.00 CETP (1.00) CETP
SCHEMBL12423519 0.98 CETP (0.96) CETP
SCHEMBL665343 0.98 CETP (0.96) CETP
SCHEMBL664297 0.94 CETP (1.00) CETP
SCHEMBL12423376 0.94 CETP (1.00) CETP
SCHEMBL663680 0.94 CETP (1.00) CETP
SCHEMBL12423549 0.94 CETP (1.00) CETP
SCHEMBL14728777 0.91 CETP (0.84) CETP
SCHEMBL12423380 0.90 CETP (0.82) CETP
SCHEMBL661489 0.90 CETP (0.82) 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