SCHEMBL7543850

SCHEMBL7543850

CCOC(=O)c1ccc2[nH]c(-c3cc(S(C)(=O)=O)cc(S(C)(=O)=O)c3)c(CCN(CCCCc3ccncc3)C(=O)OCc3ccccc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 12/20 0.50

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
SCHEMBL6982311 0.91 GNRHR (0.61) GNRHR
Hydrochloric Acid SCHEMBL6979576 0.84 GNRHR (0.60) GNRHR
SCHEMBL7908754 0.83 GNRHR (0.53) GNRHR
SCHEMBL6977543 0.78 GNRHR (0.53) GNRHR
SCHEMBL7899439 0.76 GNRHR (0.55) GNRHR
SCHEMBL8567395 0.73 GNRHR (0.50) GNRHR
SCHEMBL8698127 0.72 GNRHR (0.63) GNRHR
SCHEMBL8692405 0.72 GNRHR (0.55) GNRHR
SCHEMBL6978236 0.72 GNRHR (0.60) GNRHR
SCHEMBL7912387 0.72 GNRHR (0.51) 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-0873336-B1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-03-27 EP disclosed