SCHEMBL2596062

SCHEMBL2596062

[C]c1ccc2[nH]c(C3CCN(c4ncccc4Cl)C3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.46
PRCP P42785 1/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PRKDC P78527 1/20 0.38
MALT1 Q9UDY8 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
SCHEMBL12183370 0.88 TRPV1 (0.46) TRPV1PRCPCNR1CNR2PRKDC
SCHEMBL2596058 0.88 TRPV1 (0.50) TRPV1PRCPCNR1CNR2MALT1
SCHEMBL2595523 0.86 USP30 (0.46) TRPV1PRCPCNR1CNR2
SCHEMBL12026581 0.85 TRPV1 (0.46) TRPV1PRCPCNR1CNR2PRKDC
SCHEMBL9994730 0.81 TRPV1 (0.50) TRPV1CNR1CNR2
SCHEMBL9994825 0.79 TRPV1 (0.50) TRPV1
SCHEMBL9994960 0.76 USP30 (0.45) PRCP
SCHEMBL12026591 0.73 PRKDC (0.38) TRPV1PRCPCNR1CNR2PRKDC
SCHEMBL2419738 0.73 TRPV1 (0.57) TRPV1
SCHEMBL12183440 0.71 PDE10A (0.47) PRKDC

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
EP-2569299-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP disclosed
WO-2011143129-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed