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SCHEMBL759887

SCHEMBL759887

O=C(C[C@H](N(CC1c2ccccc2-c2ccccc21)C(=O)O)C(F)(F)F)N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 20/20 0.47
▸ KCNH2 Q12809 4/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL757077 0.86 CETP (0.48) CETPKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL759611 0.86 CETP (0.48) CETPKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL761444 0.80 CETP (0.59) CETPKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL759363 0.80 CETP (0.59) CETPKCNH2
SCHEMBL761945 0.80 CETP (0.62) CETPKCNH2
SCHEMBL758037 0.79 CETP (0.51) CETPKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL761578 0.79 CETP (0.55) CETPKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL757192 0.79 CETP (0.61) CETPKCNH2
SCHEMBL761825 0.79 CETP (0.56) CETPKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL761826 0.79 CETP (0.56) CETPKCNH2CYP1A2CYP3A4CYP2D6

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-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 — — EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 — — EP disclosed