SCHEMBL12423601

SCHEMBL12423601

CCOC(=O)c1c(C2CCC2)nc2c(c1I)C(O)CC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 17/20 0.48
ADORA3 P0DMS8 2/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10196407 1.00 CETP (0.48) CETPADORA3LMNAGAAHTT
SCHEMBL10196402 0.98 CETP (0.51) CETPADORA3
SCHEMBL12423436 0.91 CETP (0.42) CETPLMNAGAAHTT
SCHEMBL10196401 0.91 CETP (0.42) CETPLMNAGAAHTT
SCHEMBL16258308 0.87 CETP (0.52) CETPADORA3LMNAGAAHTT
SCHEMBL662928 0.85 CETP (0.53) CETP
SCHEMBL12424359 0.84 LMNA (0.44) CETPLMNAGAAHTT
SCHEMBL10196400 0.84 LMNA (0.44) CETPLMNAGAAHTT
SCHEMBL662612 0.83 CETP (0.55) CETP
SCHEMBL10196420 0.83 CETP (0.38) CETPADORA3LMNAGAAHTT

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