SCHEMBL7011733

SCHEMBL7011733

COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)c(C(C)=O)cn3Cc2ccccc2OC)cc1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.83

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
SCHEMBL3817014 0.94 GNRHR (0.84) GNRHR
SCHEMBL3821372 0.93 GNRHR (0.80) GNRHR
SCHEMBL7006519 0.93 GNRHR (0.82) GNRHR
SCHEMBL7009918 0.93 GNRHR (0.82) GNRHR
Hydrochloric Acid SCHEMBL7012613 0.92 GNRHR (0.81) GNRHR
SCHEMBL7009874 0.91 GNRHR (0.83) GNRHR
SCHEMBL7010113 0.91 GNRHR (1.00) GNRHR
Hydrochloric Acid SCHEMBL7011987 0.91 GNRHR (0.82) GNRHR
Hydrochloric Acid SCHEMBL7498872 0.90 GNRHR (0.98) GNRHR
SCHEMBL7005234 0.90 GNRHR (0.77) 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