SCHEMBL7012944

SCHEMBL7012944

CCOC(=O)Oc1cn(Cc2ccccc2OC)c2sc(-c3ccc([N+](=O)[O-])cc3)c(CN(C)Cc3ccccc3)c2c1=O

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.68

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
SCHEMBL7008635 0.95 GNRHR (0.69) GNRHR
SCHEMBL7007328 0.92 GNRHR (0.65) GNRHR
SCHEMBL7008230 0.91 GNRHR (0.81) GNRHR
SCHEMBL7014054 0.90 GNRHR (0.72) GNRHR
SCHEMBL7012529 0.90 GNRHR (0.85) GNRHR
SCHEMBL7009012 0.89 GNRHR (0.78) GNRHR
SCHEMBL7016012 0.88 GNRHR (0.65) GNRHR
SCHEMBL7006140 0.88 GNRHR (0.69) GNRHR
SCHEMBL7006641 0.87 GNRHR (0.71) GNRHR
SCHEMBL7014053 0.87 GNRHR (0.69) GNRHR

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
EP-0756599-B1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-11-26 EP claimed