SCHEMBL7012502

SCHEMBL7012502

CCOC(=O)c1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)c(C(=O)c2ccccc2)cn3Cc2c(F)cccc2F)cc1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.80

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
SCHEMBL7569460 0.89 GNRHR (0.78) GNRHR
SCHEMBL7011581 0.89 GNRHR (1.00) GNRHR
Hydrochloric Acid SCHEMBL7497443 0.89 GNRHR (0.81) GNRHR
SCHEMBL7008161 0.89 GNRHR (0.81) GNRHR
Hydrochloric Acid SCHEMBL7493979 0.89 GNRHR (0.77) GNRHR
SCHEMBL7009882 0.88 GNRHR (0.75) GNRHR
Hydrochloric Acid SCHEMBL7500013 0.88 GNRHR (0.98) GNRHR
SCHEMBL7006776 0.87 GNRHR (0.73) GNRHR
Hydrochloric Acid SCHEMBL8165522 0.87 GNRHR (0.79) GNRHR
SCHEMBL7011587 0.87 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