SCHEMBL13761502

SCHEMBL13761502

CC1CCCN1c1nc(-c2cncc(Cl)c2)cc(N2CCN(c3ncccc3Cl)C[C@H]2C)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.49
MTOR P42345 1/20 0.41
MAP3K12 Q12852 3/20 0.38
DYRK1A Q13627 1/20 0.36
CHRM4 P08173 1/20 0.36
HSD11B1 P28845 1/20 0.35
SYK P43405 3/20 0.35

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
SCHEMBL3876017 0.95 TRPV1 (0.50) TRPV1MTORHSD11B1
SCHEMBL13761519 0.95 TRPV1 (0.50) TRPV1MTORHSD11B1
SCHEMBL3881501 0.92 TRPV1 (0.47) TRPV1MTORMAP3K12DYRK1ACHRM4
SCHEMBL13761534 0.92 TRPV1 (0.47) TRPV1MTORMAP3K12DYRK1ACHRM4
SCHEMBL3890908 0.92 TRPV1 (0.50) TRPV1MTORMAP3K12HSD11B1
SCHEMBL3882205 0.90 TRPV1 (0.43) TRPV1MAP3K12SYK
SCHEMBL13761531 0.90 TRPV1 (0.43) TRPV1MAP3K12SYK
SCHEMBL3880813 0.89 TRPV1 (0.44) TRPV1MTORSYK
SCHEMBL3877270 0.88 TRPV1 (0.49) TRPV1MTORMAP3K12
SCHEMBL3879150 0.87 TRPV1 (0.47) TRPV1MAP3K12CHRM4HSD11B1SYK

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 2 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