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SCHEMBL3878643

SCHEMBL3878643

CC(=O)N(C)c1nc(-c2ccc(F)c(Cl)c2)cc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.43
▸ HSD11B1 P28845 7/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ RBP4 P02753 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
SCHEMBL3881354 0.90 TRPV1 (0.48) HSD11B1TRPV1
SCHEMBL3878894 0.88 HSD11B1 (0.42) TRPA1HSD11B1TRPV1GAARBP4
SCHEMBL3889392 0.87 HSD11B1 (0.47) HSD11B1TRPV1
SCHEMBL3880682 0.86 HSD11B1 (0.46) TRPA1HSD11B1TRPV1GAARBP4
SCHEMBL3876034 0.86 TRPV1 (0.44) TRPA1HSD11B1TRPV1
SCHEMBL3880107 0.86 HSD11B1 (0.43) HSD11B1
SCHEMBL3879463 0.85 HSD11B1 (0.42) TRPA1HSD11B1TRPV1
SCHEMBL3884299 0.85 TRPA1 (0.41) TRPA1HSD11B1TRPV1GAARBP4
SCHEMBL13761395 0.85 HSD11B1 (0.43) HSD11B1TRPV1
SCHEMBL3944849 0.85 TRPV1 (0.47) HSD11B1TRPV1

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