SCHEMBL7749111

SCHEMBL7749111

COc1ccc(-c2sc3c(c2CNCc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.68

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
SCHEMBL7747141 0.93 GNRHR (0.66) GNRHR
SCHEMBL7202812 0.87 GNRHR (0.90) GNRHR
Hydrochloric Acid SCHEMBL7748993 0.82 GNRHR (0.62) GNRHR
SCHEMBL7591971 0.76 GNRHR (0.54) GNRHR
Hydrochloric Acid SCHEMBL7203755 0.75 GNRHR (0.85) GNRHR
SCHEMBL778511 0.75 GNRHR (0.78) GNRHR
SCHEMBL805090 0.75 GNRHR (0.77) GNRHR
SCHEMBL778208 0.74 GNRHR (0.78) GNRHR
Hydrochloric Acid SCHEMBL778601 0.74 GNRHR (0.76) GNRHR
SCHEMBL780108 0.74 GNRHR (0.92) 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
US-6048863-A SEXUAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-11 US claimed
US-6180792-B1 DRUGS, ANTISECRETORY AGENTS AND HORMONE INHIBITORS FOR LH-RH TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-30 US disclosed