SCHEMBL3946732

SCHEMBL3946732

CC(C)CCNc1nc(-c2ccc(F)c(Cl)c2)cc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.42
HSD11B1 P28845 3/20 0.42

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
SCHEMBL13761272 0.90 HSD11B1 (0.41) TRPV1HSD11B1
SCHEMBL3884755 0.88 HSD11B1 (0.45) TRPV1HSD11B1
SCHEMBL3877102 0.88 TRPV1 (0.44) TRPV1HSD11B1
SCHEMBL3877637 0.87 HSD11B1 (0.46) HSD11B1
SCHEMBL3880138 0.83 HSD11B1 (0.43) TRPV1HSD11B1
SCHEMBL3880146 0.83 HSD11B1 (0.43) TRPV1HSD11B1
SCHEMBL3876842 0.83 HSD11B1 (0.49) TRPV1HSD11B1
SCHEMBL13761395 0.83 HSD11B1 (0.43) TRPV1HSD11B1
SCHEMBL3878661 0.82 HSD11B1 (0.42) TRPV1HSD11B1
SCHEMBL3878656 0.82 HSD11B1 (0.42) TRPV1HSD11B1

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
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed