Sugi Predict

Sugi Predict / Compounds / SCHEMBL15314636

SCHEMBL15314636

SCHEMBL15314636

Cc1cc(F)c(C(C)C)cc1-c1ccc(C#N)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 20/20 0.61
▸ NR1I2 O75469 2/20 0.59

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
SCHEMBL1506730 0.90 CETP (0.75) CETPNR1I2
SCHEMBL12833497 0.88 CETP (0.69) CETPNR1I2
SCHEMBL16153832 0.82 CETP (0.82) CETPNR1I2
SCHEMBL15314658 0.80 CETP (0.39) CETPNR1I2
SCHEMBL15142847 0.79 CETP (0.77) CETPNR1I2
SCHEMBL12313516 0.79 CETP (0.77) CETPNR1I2
SCHEMBL15927643 0.79 CETP (0.77) CETPNR1I2
SCHEMBL1506431 0.79 CETP (0.76) CETPNR1I2
SCHEMBL1506718 0.79 CETP (0.78) CETPNR1I2
SCHEMBL15314582 0.79 CETP (0.65) CETPNR1I2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 — — EP disclosed