SCHEMBL7006963

SCHEMBL7006963

CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C(C)OC)cc3)c(CN(C)Cc3ccccc3)c2c1=O

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.89
MEN1 O00255 1/20 0.77
KMT2A Q03164 1/20 0.77

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
SCHEMBL7499533 0.94 GNRHR (1.00) GNRHRMEN1KMT2A
SCHEMBL7015901 0.90 GNRHR (1.00) GNRHRMEN1KMT2A
SCHEMBL7013303 0.90 GNRHR (0.72) GNRHRMEN1KMT2A
SCHEMBL7011587 0.89 GNRHR (1.00) GNRHRMEN1KMT2A
SCHEMBL7015496 0.89 GNRHR (0.90) GNRHRMEN1KMT2A
SCHEMBL7497153 0.89 GNRHR (0.85) GNRHRMEN1KMT2A
SCHEMBL7014548 0.88 GNRHR (0.87) GNRHRMEN1KMT2A
SCHEMBL7497514 0.87 GNRHR (1.00) GNRHRMEN1KMT2A
SCHEMBL7011581 0.86 GNRHR (1.00) GNRHR
Hydrochloric Acid SCHEMBL7497509 0.86 GNRHR (1.00) GNRHRMEN1KMT2A

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