SCHEMBL3877910

SCHEMBL3877910

CC1CCCN1c1nc(-c2ccc(F)c(F)c2)cc(N2CCN(c3ncccc3Cl)C[C@H]2C)n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.47
MAP3K12 Q12852 3/20 0.37
MALT1 Q9UDY8 1/20 0.36
CHRM4 P08173 1/20 0.36
HSD11B1 P28845 1/20 0.36
SYK P43405 2/20 0.36

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
SCHEMBL3878509 1.00 TRPV1 (0.47) TRPV1MAP3K12MALT1CHRM4HSD11B1
SCHEMBL3882335 1.00 TRPV1 (0.47) TRPV1MAP3K12MALT1CHRM4HSD11B1
SCHEMBL3876192 1.00 TRPV1 (0.47) TRPV1MAP3K12MALT1CHRM4HSD11B1
SCHEMBL3880542 1.00 TRPV1 (0.47) TRPV1MAP3K12MALT1CHRM4HSD11B1
SCHEMBL3880804 0.97 TRPV1 (0.47) TRPV1MALT1CHRM4HSD11B1
SCHEMBL3877385 0.95 TRPV1 (0.47) TRPV1MAP3K12MALT1CHRM4HSD11B1
SCHEMBL3879150 0.95 TRPV1 (0.47) TRPV1MAP3K12MALT1CHRM4HSD11B1
SCHEMBL3878906 0.95 TRPV1 (0.46) TRPV1MAP3K12CHRM4HSD11B1SYK
SCHEMBL3877690 0.95 TRPV1 (0.46) TRPV1MAP3K12CHRM4HSD11B1SYK
SCHEMBL3883287 0.95 TRPV1 (0.47) TRPV1MAP3K12MALT1CHRM4HSD11B1

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