SCHEMBL3881908

SCHEMBL3881908

Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(c3ncccc3C(F)(F)F)CC2C)n1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.55
HSD11B1 P28845 3/20 0.49

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
SCHEMBL13761269 1.00 TRPV1 (0.55) TRPV1HSD11B1
SCHEMBL3878992 0.84 TRPV1 (0.54) TRPV1HSD11B1
SCHEMBL3885556 0.84 TRPV1 (0.54) TRPV1HSD11B1
SCHEMBL3880796 0.80 TRPV1 (0.51) TRPV1HSD11B1
SCHEMBL3880753 0.80 TRPV1 (0.51) TRPV1HSD11B1
SCHEMBL3889723 0.80 TRPV1 (0.55) TRPV1HSD11B1
SCHEMBL3880550 0.79 TRPV1 (0.51) TRPV1HSD11B1
SCHEMBL3882725 0.79 TRPV1 (0.47) TRPV1HSD11B1
SCHEMBL5446901 0.79 TRPV1 (0.56) TRPV1
SCHEMBL13761487 0.79 TRPV1 (0.48) 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