SCHEMBL8987616

SCHEMBL8987616

CCN(CC)C(=O)ON(c1cccc(F)c1)c1nc(C)cc(C2CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.44
HCRTR2 O43614 16/20 0.44
PTGIR P43119 4/20 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
SCHEMBL8987561 0.85 HDAC4 (0.36) HCRTR1HCRTR2PTGIR
SCHEMBL8987541 0.76 HCRTR2 (0.36) HCRTR1HCRTR2PTGIR
SCHEMBL8987503 0.76 POLB (0.40) HCRTR1HCRTR2
SCHEMBL9044034 0.74 HCRTR2 (0.34) HCRTR1HCRTR2
SCHEMBL8987697 0.73 POLB (0.37) HCRTR1HCRTR2
SCHEMBL8987671 0.73 POLB (0.37) HCRTR1HCRTR2
SCHEMBL8987610 0.71 FFAR1 (0.36) HCRTR1HCRTR2
SCHEMBL9044597 0.66 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL9044240 0.65 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL8987728 0.65 POLB (0.38) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441747-B1 Microbicide agent CIBA GEIGY AG (CH) 1996-07-03 EP disclosed
US-5120741-A Crop protection against phytopathogenic microorganisms CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
EP-0441747-A2 Microbicide agent CIBA-GEIGY AG (CH) 1991-08-14 EP disclosed