SCHEMBL7008930

SCHEMBL7008930

CCCC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)c(C(=O)OCC)cn3Cc2ccccc2F)cc1

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
SCHEMBL7009802 0.96 GNRHR (0.82) GNRHR
SCHEMBL7015747 0.95 GNRHR (0.88) GNRHR
SCHEMBL7015181 0.93 GNRHR (0.88) GNRHR
SCHEMBL7013554 0.93 GNRHR (0.92) GNRHR
SCHEMBL7006769 0.93 GNRHR (0.87) GNRHR
SCHEMBL7006738 0.91 GNRHR (0.85) GNRHR
SCHEMBL7008305 0.91 GNRHR (1.00) GNRHR
SCHEMBL7015496 0.91 GNRHR (0.90) GNRHR
SCHEMBL7009786 0.90 GNRHR (0.88) GNRHR
SCHEMBL7014115 0.90 GNRHR (0.68) 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