SCHEMBL7200033

SCHEMBL7200033

CCN(CC)C(=O)c1ccc2c(c1)c(CCNCCCCc1ccncc1)c(-c1cc(S(C)(=O)=O)cc(S(C)(=O)=O)c1)n2CCN(C)C

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 10/20 0.52

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
SCHEMBL3277652 0.90 GNRHR (0.65) GNRHR
SCHEMBL8600629 0.69 GNRHR (1.00) GNRHR
SCHEMBL8695324 0.68 GNRHR (0.50) GNRHR
Hydrochloric Acid SCHEMBL8698543 0.68 GNRHR (0.98) GNRHR
Hydrochloric Acid SCHEMBL8694733 0.67 GNRHR (0.49) GNRHR
SCHEMBL8695327 0.64 NPY5R (0.45) GNRHR
Hydrochloric Acid SCHEMBL8694734 0.63 GNRHR (0.44) GNRHR
SCHEMBL8690502 0.61 GNRHR (0.76) GNRHR
SCHEMBL8569037 0.60 GNRHR (0.68) GNRHR
SCHEMBL8600810 0.58 GNRHR (0.81) 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-2003038036-A2 RESCUE OF GONADOTROPIN RELEASING HORMONE RECEPTOR MUTANTS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2003-05-08 WO disclosed