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SCHEMBL3944849

SCHEMBL3944849

CN(c1nc(-c2ccc(F)c(Cl)c2)cc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.47
▸ GALR2 O43603 4/20 0.42
▸ GALR1 P47211 4/20 0.42
▸ HSD11B1 P28845 5/20 0.41

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
SCHEMBL13761372 0.93 AXL (0.41) TRPV1GALR2GALR1HSD11B1
SCHEMBL3881825 0.90 HSD11B1 (0.39) TRPV1GALR2GALR1HSD11B1
SCHEMBL3881354 0.89 TRPV1 (0.48) TRPV1GALR2GALR1HSD11B1
SCHEMBL3877789 0.87 TRPV1 (0.46) TRPV1GALR2GALR1HSD11B1
SCHEMBL3882789 0.86 TRPV1 (0.48) TRPV1GALR2GALR1HSD11B1
SCHEMBL3889392 0.86 HSD11B1 (0.47) TRPV1GALR2GALR1HSD11B1
SCHEMBL3880107 0.85 HSD11B1 (0.43) GALR2GALR1HSD11B1
SCHEMBL3878643 0.85 TRPA1 (0.43) TRPV1HSD11B1
SCHEMBL3876175 0.84 TRPV1 (0.48) TRPV1GALR2GALR1HSD11B1
SCHEMBL13761395 0.84 HSD11B1 (0.43) TRPV1GALR2GALR1HSD11B1

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