SCHEMBL7017502

SCHEMBL7017502

CCCN(Cc1ccccc1)Cc1c(-c2ccc(OC)cc2)sc2c1c(=O)c(C(=O)OCC)cn2Cc1ccccc1OC

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.89

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
SCHEMBL7012566 0.96 GNRHR (0.94) GNRHR
SCHEMBL7012076 0.95 GNRHR (0.88) GNRHR
SCHEMBL7010492 0.95 GNRHR (0.88) GNRHR
SCHEMBL7009373 0.94 GNRHR (0.85) GNRHR
SCHEMBL7012052 0.91 GNRHR (0.88) GNRHR
SCHEMBL7010113 0.91 GNRHR (1.00) GNRHR
Hydrochloric Acid SCHEMBL7498872 0.90 GNRHR (0.98) GNRHR
SCHEMBL7009686 0.89 GNRHR (0.84) GNRHR
SCHEMBL7010119 0.88 GNRHR (0.96) GNRHR
SCHEMBL7014665 0.88 GNRHR (1.00) 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