SCHEMBL3877173

SCHEMBL3877173

CC1CCCN1c1nc(-c2ccc(F)c(Cl)c2)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.48
HSD11B1 P28845 6/20 0.44
GALR2 O43603 2/20 0.42
GALR1 P47211 2/20 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
SCHEMBL3878930 0.97 TRPV1 (0.49) TRPV1HSD11B1GALR2GALR1
SCHEMBL3878712 0.93 TRPV1 (0.48) TRPV1HSD11B1GALR2GALR1
SCHEMBL3878982 0.93 TRPV1 (0.49) TRPV1HSD11B1
SCHEMBL3880583 0.92 TRPV1 (0.50) TRPV1HSD11B1GALR2GALR1
SCHEMBL3876748 0.91 TRPV1 (0.52) TRPV1HSD11B1
SCHEMBL3878959 0.91 TRPV1 (0.49) TRPV1HSD11B1GALR2GALR1
SCHEMBL3877169 0.91 TRPV1 (0.50) TRPV1HSD11B1GALR2GALR1
SCHEMBL3885630 0.91 TRPV1 (0.49) TRPV1HSD11B1GALR2GALR1
SCHEMBL3885631 0.90 TRPV1 (0.51) TRPV1HSD11B1GALR2GALR1
SCHEMBL3876152 0.90 TRPV1 (0.49) TRPV1HSD11B1GALR2GALR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

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