SCHEMBL7184073

SCHEMBL7184073

C[C@@H](CO)n1c(=O)[nH]c2cc(C#N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.42
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
AR P10275 1/20 0.39
DAO P14920 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TNKS O95271 6/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ALK Q9UM73 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37

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
SCHEMBL7176932 1.00 PGR (0.42) PGRPOLBMAPTARDAO
SCHEMBL20079378 0.85 POLB (0.55) PGRPOLBMAPTTNKSNOS3
SCHEMBL7178509 0.83 PGR (0.38) PGRPOLBMAPTDAOTNKS
SCHEMBL7187351 0.83 PGR (0.38) PGRPOLBMAPTDAOTNKS
SCHEMBL7185230 0.76 ALDH1A1 (0.54) PGRPOLBMAPTAR
SCHEMBL7513143 0.76 POLB (0.68) PGRPOLBMAPTDAO
SCHEMBL7183033 0.75 MAPT (0.43) PGRMAPTDAOTNKSNOS3
SCHEMBL7191700 0.74 PGR (0.44) PGRPOLBMAPTHRH3TNKS
SCHEMBL7187323 0.74 PGR (0.44) PGRPOLBMAPTHRH3TNKS
SCHEMBL3932874 0.74 MAPT (0.61) PGRMAPTDAOTNKSNOS3

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