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SCHEMBL3886728

SCHEMBL3886728

CC(C)N(C)c1nc(-c2ccc(F)c(Cl)c2)cc(N2CCN(c3ncccc3Cl)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 2/20 0.41
▸ HRH4 Q9H3N8 1/20 0.39
▸ TRPV1 Q8NER1 9/20 0.38
▸ HSD11B1 P28845 1/20 0.37

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
SCHEMBL3889310 0.93 TRPV1 (0.41) MALT1HRH4TRPV1HSD11B1
SCHEMBL3880241 0.91 MALT1 (0.43) MALT1TRPV1HSD11B1
SCHEMBL3889392 0.90 HSD11B1 (0.47) TRPV1HSD11B1
SCHEMBL3891315 0.86 MALT1 (0.41) MALT1TRPV1HSD11B1
SCHEMBL13761617 0.84 TRPV1 (0.35) MALT1TRPV1
SCHEMBL3880914 0.84 TRPV1 (0.35) MALT1TRPV1
SCHEMBL3878113 0.83 MALT1 (0.47) MALT1TRPV1HSD11B1
SCHEMBL3879463 0.82 HSD11B1 (0.42) TRPV1HSD11B1
SCHEMBL3881354 0.81 TRPV1 (0.48) TRPV1HSD11B1
SCHEMBL3884829 0.80 TRPV1 (0.46) 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 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