SCHEMBL7012425

SCHEMBL7012425

CCOC(=O)Oc1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(N)cc3)c(CN(C)Cc3ccccc3)c2c1=O

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.79
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL7007023 0.95 GNRHR (0.72) GNRHR
SCHEMBL7013462 0.94 GNRHR (0.69) GNRHR
SCHEMBL7016012 0.90 GNRHR (0.65) GNRHR
SCHEMBL7017788 0.90 GNRHR (0.80) GNRHRMEN1KMT2A
SCHEMBL7012184 0.89 GNRHR (0.70) GNRHRMEN1KMT2A
SCHEMBL7010981 0.89 GNRHR (0.81) GNRHRMEN1KMT2A
SCHEMBL7011581 0.88 GNRHR (1.00) GNRHR
SCHEMBL7014054 0.88 GNRHR (0.72) GNRHR
Hydrochloric Acid SCHEMBL7500013 0.88 GNRHR (0.98) GNRHR
SCHEMBL7012492 0.87 GNRHR (0.69) 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 1 patent. 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