SCHEMBL7015181

SCHEMBL7015181

CCOC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)c(C(=O)OCC)cn3Cc2ccccc2F)cc1

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.88
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67

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
SCHEMBL7006769 0.95 GNRHR (0.87) GNRHRMEN1KMT2A
SCHEMBL7013554 0.95 GNRHR (0.92) GNRHRMEN1KMT2A
SCHEMBL7015747 0.94 GNRHR (0.88) GNRHR
SCHEMBL7008305 0.94 GNRHR (1.00) GNRHR
SCHEMBL7006738 0.94 GNRHR (0.85) GNRHRMEN1KMT2A
SCHEMBL7015496 0.94 GNRHR (0.90) GNRHRMEN1KMT2A
SCHEMBL7008930 0.93 GNRHR (0.84) GNRHR
SCHEMBL7009786 0.93 GNRHR (0.88) GNRHR
SCHEMBL7009802 0.92 GNRHR (0.82) GNRHR
SCHEMBL7006620 0.91 GNRHR (0.88) 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