SCHEMBL9270686

SCHEMBL9270686

CCC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2ccccc2F)cc1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.88

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
Hydrochloric Acid SCHEMBL7210157 0.99 GNRHR (0.86) GNRHR
SCHEMBL8009377 0.93 GNRHR (1.00) GNRHR
SCHEMBL7208416 0.93 GNRHR (0.87) GNRHR
SCHEMBL8803993 0.92 GNRHR (0.75) GNRHR
Hydrochloric Acid SCHEMBL7207523 0.92 GNRHR (0.74) GNRHR
Hydrochloric Acid SCHEMBL7746051 0.91 GNRHR (0.88) GNRHR
SCHEMBL7205211 0.87 GNRHR (1.00) GNRHR
Hydrochloric Acid SCHEMBL7205933 0.86 GNRHR (0.99) GNRHR
SCHEMBL7208462 0.86 GNRHR (0.86) GNRHR
SCHEMBL1642713 0.85 GNRHR (1.00) 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
WO-1995028405-A1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed