SCHEMBL19188554

SCHEMBL19188554

CCN(CC1CCCC1)c1nc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)/C(N)=N/N(C)N)CCCC2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.30

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
SCHEMBL19189308 0.98
SCHEMBL19199529 0.84 TACR1 (0.34) CETP
SCHEMBL5624044 0.84 CETP (0.46) CETP
SCHEMBL19188508 0.84 TACR1 (0.37)
SCHEMBL19189671 0.83 CETP (0.33) CETP
SCHEMBL14602933 0.83 CETP (0.44) CETP
SCHEMBL19188380 0.82 CETP (0.30) CETP
SCHEMBL19189315 0.81 CETP (0.31) CETP
SCHEMBL19188648 0.81 TACR1 (0.34) CETP
SCHEMBL19188458 0.80 CETP (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848430-B1 NOVEL BENZYLAMINE DERIVATIVES AS CETP INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-08-02 EP disclosed