SCHEMBL7181965

SCHEMBL7181965

N#Cc1ccc2c(c1)[nH]c(=O)n2C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.60
PGR P06401 5/20 0.58
TNKS O95271 9/20 0.58
TNKS2 Q9H2K2 2/20 0.56
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
OPRM1 P35372 1/20 0.52
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
PARP2 Q9UGN5 2/20 0.48
PARP1 P09874 1/20 0.48

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
SCHEMBL7190982 1.00 SIRT2 (0.60) SIRT2PGRTNKSTNKS2CHRM2
SCHEMBL7178536 0.99 TNKS (0.59) SIRT2PGRTNKSTNKS2CHRM2
SCHEMBL20334018 0.96 TNKS (0.59) SIRT2PGRTNKSTNKS2OPRM1
SCHEMBL8242664 0.93 TNKS (0.64) SIRT2PGRTNKSTNKS2OPRM1
SCHEMBL4444315 0.89 TNKS (0.59) SIRT2PGRTNKSTNKS2OPRM1
Hydrochloric Acid SCHEMBL16876826 0.88 TNKS (0.58) SIRT2PGRTNKSTNKS2OPRM1
SCHEMBL16445244 0.87 TNKS (0.59) SIRT2PGRTNKSTNKS2OPRM1
SCHEMBL16456327 0.87 TNKS (0.64) SIRT2PGRTNKSTNKS2OPRM1
SCHEMBL15289117 0.87 TNKS (0.59) SIRT2PGRTNKSTNKS2OPRM1
SCHEMBL7178236 0.87 TNKS (0.59) SIRT2PGRTNKSTNKS2CHRM2

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-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed