Sugi Predict

Sugi Predict / Compounds / SCHEMBL740433

SCHEMBL740433

SCHEMBL740433

Cc1cccc2c1n(CCS(C)(=O)=O)c(=O)n2C(=O)N[C@@H]1CCCC[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR4 Q13639 1/20 0.37
▸ CHRM1 P11229 8/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL763800 1.00 CNR2 (0.52) CNR2TMEM97SIGMAR1HTR3AHTR4
SCHEMBL762202 1.00 CNR2 (0.52) CNR2TMEM97SIGMAR1HTR3AHTR4
SCHEMBL763325 0.86 CNR2 (0.53) CNR2TMEM97SIGMAR1HTR3AHTR4
SCHEMBL738121 0.86 CNR2 (0.53) CNR2TMEM97SIGMAR1HTR3AHTR4
SCHEMBL762512 0.86 CNR2 (0.53) CNR2TMEM97SIGMAR1HTR3AHTR4
SCHEMBL762214 0.74 CNR2 (0.52) CNR2
SCHEMBL738879 0.73 CNR2 (0.57) CNR2
SCHEMBL739217 0.72 CNR2 (0.54) CNR2
SCHEMBL3916227 0.72 CNR2 (0.68) CNR2TMEM97SIGMAR1HTR3AHTR4
SCHEMBL737357 0.72 CNR2 (0.54) CNR2

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
US-8138177-B2 Benzimidazolone derivatives as CB2 receptor ligands PFIZER INC. (US) 2012-03-20 — — US claimed
EP-1861377-B1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER (US) 2010-12-29 — — EP disclosed