SCHEMBL5433258

SCHEMBL5433258

NC(=O)c1nn(CC2CC2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.57
ELANE P08246 1/20 0.50
PARP1 P09874 1/20 0.48
CFD P00746 13/20 0.48
ACHE P22303 1/20 0.47
CNR2 P34972 1/20 0.47
SSTR4 P31391 1/20 0.47
PADI4 Q9UM07 1/20 0.46

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
SCHEMBL13691221 0.91 CNR1 (0.53) CNR1ELANEPARP1CFDACHE
SCHEMBL8719218 0.87 CNR1 (0.53) CNR1ACHECNR2SSTR4PADI4
SCHEMBL31429317 0.87 CNR1 (0.53) CNR1ACHECNR2SSTR4PADI4
SCHEMBL8713428 0.86 CNR1 (0.52) CNR1ACHECNR2SSTR4PADI4
SCHEMBL31429457 0.82 CNR1 (0.54) CNR1ELANEACHECNR2SSTR4
SCHEMBL24437187 0.82 CNR1 (0.56) CNR1ACHECNR2SSTR4PADI4
SCHEMBL31429426 0.82 CNR1 (0.56) CNR1ACHECNR2SSTR4PADI4
SCHEMBL4052657 0.81 CNR1 (0.61) CNR1ACHECNR2SSTR4PADI4
SCHEMBL28079256 0.80 ELANE (0.56) CNR1ELANEPARP1CFDCNR2
SCHEMBL8877216 0.79 ELANE (0.55) CNR1ELANEPARP1CFDCNR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007530590-A 2007-11-01 JP claimed
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP claimed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO claimed
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP disclosed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
US-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 US disclosed