SCHEMBL8600629

SCHEMBL8600629

CCN(CC)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCCCCc3ccncc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 11/20 1.00

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 SCHEMBL8698543 0.99 GNRHR (0.98) GNRHR
SCHEMBL8600810 0.90 GNRHR (0.81) GNRHR
SCHEMBL6974460 0.88 GNRHR (0.79) GNRHR
SCHEMBL8690502 0.86 GNRHR (0.76) GNRHR
SCHEMBL8695273 0.85 GNRHR (1.00) GNRHR
SCHEMBL6975952 0.83 GNRHR (0.76) GNRHR
SCHEMBL8698225 0.82 GNRHR (0.70) GNRHR
SCHEMBL8694995 0.82 GNRHR (0.69) GNRHR
SCHEMBL8700376 0.81 GNRHR (0.84) GNRHR
SCHEMBL8700388 0.81 GNRHR (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849764-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 1998-12-15 US disclosed
EP-0871624-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1998-10-21 EP disclosed
WO-1997021703-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed