SCHEMBL7010078

SCHEMBL7010078

CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccc(OC)cc3)c(CNc3ccccc3)c2c1=O

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.84

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
SCHEMBL7006410 0.91 GNRHR (0.91) GNRHR
SCHEMBL7012346 0.91 GNRHR (1.00) GNRHR
SCHEMBL7012420 0.91 GNRHR (0.87) GNRHR
SCHEMBL7009941 0.90 GNRHR (1.00) GNRHR
SCHEMBL7014768 0.90 GNRHR (0.82) GNRHR
SCHEMBL7012181 0.89 GNRHR (0.68) GNRHR
Hydrochloric Acid SCHEMBL7011699 0.89 GNRHR (0.98) GNRHR
SCHEMBL7012326 0.89 GNRHR (0.84) GNRHR
SCHEMBL7004888 0.89 GNRHR (0.81) GNRHR
SCHEMBL7008544 0.88 GNRHR (0.88) 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 2 patents. 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
EP-0756599-B1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-11-26 EP disclosed