SCHEMBL3994402

SCHEMBL3994402

Cc1cc(-c2cc(N3CCN(c4ncccc4Cl)CC3C)nc(N3CCOCC3)n2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.49
PIK3CA P42336 6/20 0.40
MTOR P42345 6/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAP3K12 Q12852 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
SCHEMBL3943240 1.00 TRPV1 (0.49) TRPV1PIK3CAMTORKDM4ELMNA
SCHEMBL3883364 1.00 TRPV1 (0.49) TRPV1PIK3CAMTORKDM4ELMNA
SCHEMBL3877119 0.93 TRPV1 (0.49) TRPV1PIK3CAMTORKDM4ELMNA
SCHEMBL3888987 0.93 TRPV1 (0.47) TRPV1PIK3CAMTOR
SCHEMBL13761243 0.93 TRPV1 (0.47) TRPV1PIK3CAMTOR
SCHEMBL3879476 0.93 TRPV1 (0.47) TRPV1PIK3CAMTOR
SCHEMBL3951697 0.93 TRPV1 (0.46) TRPV1PIK3CAMTORMAP3K12
SCHEMBL3877707 0.93 TRPV1 (0.52) TRPV1PIK3CAMTORMAP3K12
SCHEMBL3881787 0.93 TRPV1 (0.47) TRPV1PIK3CAMTORMAP3K12
SCHEMBL3881042 0.93 TRPV1 (0.50) TRPV1

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 1 patent. 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