SCHEMBL7006752

SCHEMBL7006752

CCOC(=O)c1cn(Cc2ccccc2F)c2sc(-c3ccc([N+](=O)[O-])cc3)c(CN(C)Cc3ccccc3)c2c1=O

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.82

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
SCHEMBL7012798 0.94 GNRHR (0.82) GNRHR
Hydrochloric Acid SCHEMBL7492847 0.93 GNRHR (0.81) GNRHR
SCHEMBL7012529 0.91 GNRHR (0.85) GNRHR
SCHEMBL7006620 0.91 GNRHR (0.88) GNRHR
SCHEMBL7007138 0.91 GNRHR (0.74) GNRHR
SCHEMBL7008132 0.90 GNRHR (1.00) GNRHR
SCHEMBL7011386 0.90 GNRHR (0.88) GNRHR
SCHEMBL7007328 0.89 GNRHR (0.65) GNRHR
SCHEMBL7015181 0.88 GNRHR (0.88) GNRHR
SCHEMBL7012694 0.88 GNRHR (0.85) 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