SCHEMBL7096825

SCHEMBL7096825

COc1ccc(-c2sc3c(c2C(C)NCc2ccccc2)c(=O)c(C(C)OC(C)=O)cn3Cc2ccccc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.51
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7097841 0.91 GNRHR (0.52) GNRHR
SCHEMBL7014445 0.85 GNRHR (0.56) GNRHR
SCHEMBL7098342 0.84 GNRHR (0.50) GNRHRMEN1KMT2A
SCHEMBL7094025 0.83 GNRHR (0.53) GNRHR
SCHEMBL7013804 0.83 GNRHR (0.72) GNRHRMEN1KMT2A
SCHEMBL7097179 0.83 GNRHR (0.51) GNRHR
SCHEMBL7095739 0.82 GNRHR (0.49) GNRHR
SCHEMBL7010377 0.74 GNRHR (0.58) GNRHR
SCHEMBL7006442 0.74 GNRHR (0.67) GNRHR
SCHEMBL7006418 0.73 GNRHR (0.74) 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 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