SCHEMBL2596058

SCHEMBL2596058

Cc1ccc2[nH]c(C3CCN(c4ncccc4Cl)C3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.50
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PRCP P42785 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD11B1 P28845 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9994825 0.92 TRPV1 (0.50) TRPV1HSD11B1LMNA
SCHEMBL2596062 0.88 TRPV1 (0.46) TRPV1CNR1CNR2PRCPMALT1
SCHEMBL12183370 0.88 TRPV1 (0.46) TRPV1CNR1CNR2PRCPMAPT
SCHEMBL2595523 0.86 USP30 (0.46) TRPV1CNR1CNR2PRCP
SCHEMBL12026581 0.85 TRPV1 (0.46) TRPV1CNR1CNR2PRCPMALT1
SCHEMBL9994730 0.81 TRPV1 (0.50) TRPV1CNR1CNR2
SCHEMBL9994552 0.79 PDE10A (0.46) TRPV1ALDH1A1LMNA
SCHEMBL12026558 0.78 PDE10A (0.44) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL9994960 0.76 USP30 (0.45) PRCP
SCHEMBL9995146 0.74 PDE10A (0.50) ALDH1A1LMNA

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