SCHEMBL4736369

SCHEMBL4736369

Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CCC1(CCc2ccc(F)cc21)O3

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL14068758 0.94
SCHEMBL4738952 0.91
SCHEMBL4735029 0.89 NPY5R (0.33)
SCHEMBL4736353 0.88 HRH3 (0.32)
SCHEMBL4739803 0.87
SCHEMBL4737849 0.85 KDM4E (0.32)
SCHEMBL4737352 0.84 LMNA (0.33)
SCHEMBL14068756 0.83
SCHEMBL4739249 0.81 PIN1 (0.31) PIN1
SCHEMBL4735036 0.80 CNR1 (0.36)

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
WO-2008071765-A1 PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2008-06-19 WO claimed