SCHEMBL4639357

SCHEMBL4639357

NCC(c1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1nccs1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.37
▸ TACR1 P25103 1/20 0.34
▸ CETP P11597 5/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ VNN1 O95497 1/20 0.33
▸ AR P10275 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ FBP1 P09467 1/20 0.32

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
SCHEMBL1184438 0.78 CETP (0.41) ALOX5CETPVNN1
SCHEMBL4640356 0.78 NOS3 (0.39) CETPKIF11VNN1
SCHEMBL10202789 0.75 CETP (0.47) CETPVNN1
SCHEMBL4639184 0.72 CETP (0.52) CETP
SCHEMBL4968059 0.71 KIF11 (0.38) TACR1CETPKIF11
SCHEMBL21778110 0.71 PDPK1 (0.40) ALOX5NR1H2
SCHEMBL4639381 0.70 KIF11 (0.44) CETPKIF11
SCHEMBL4639666 0.69 TACR1 (0.35) TACR1CETPKIF11
SCHEMBL4639707 0.68 GPBAR1 (0.36) TACR1CETPKIF11
SCHEMBL1183378 0.68 CETP (0.66) 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-1951673-A2 HETEROCYCLIC CETP INHIBITORS Bristol-Myers Squibb Company (US) 2008-08-06 — — EP disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
Send feedback