SCHEMBL3887683

SCHEMBL3887683

COCCN(C)c1nc(-c2ccc(F)c(C)c2)cc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.49
GALR2 O43603 4/20 0.40
GALR1 P47211 4/20 0.40

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
SCHEMBL3878640 0.89 GALR2 (0.43) GALR2GALR1
SCHEMBL3884829 0.86 TRPV1 (0.46) TRPV1GALR2GALR1
SCHEMBL3882315 0.85 GALR2 (0.43) GALR2GALR1
SCHEMBL13761418 0.85 GALR2 (0.42) GALR2GALR1
SCHEMBL3877789 0.84 TRPV1 (0.46) TRPV1GALR2GALR1
SCHEMBL3888307 0.83 GALR2 (0.41) TRPV1GALR2GALR1
SCHEMBL13761493 0.82 GALR2 (0.40) TRPV1GALR2GALR1
SCHEMBL3882111 0.82 GALR2 (0.40) GALR2GALR1
SCHEMBL3948366 0.82 HSD11B1 (0.43) GALR2GALR1
SCHEMBL3876034 0.82 TRPV1 (0.44) TRPV1GALR2GALR1

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 3 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 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