SCHEMBL12423449

SCHEMBL12423449

CCOC(=O)c1c(C2CCOCC2)nc2c(c1I)C(O)CC1(CCC1)C2

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 18/20 0.45
ADORA3 P0DMS8 2/20 0.33

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
SCHEMBL10238048 1.00 CETP (0.45) CETPADORA3
SCHEMBL16258381 0.91 CETP (0.46) CETPADORA3
SCHEMBL10196401 0.89 CETP (0.42) CETP
SCHEMBL12423436 0.89 CETP (0.42) CETP
SCHEMBL10238087 0.85 CETP (0.36) CETP
SCHEMBL662322 0.85 CETP (0.48) CETP
SCHEMBL665049 0.82 CYP1A2 (0.36) CETPADORA3
SCHEMBL12423601 0.81 CETP (0.48) CETPADORA3
SCHEMBL10196402 0.81 CETP (0.51) CETPADORA3
SCHEMBL10196407 0.81 CETP (0.48) CETPADORA3

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