SCHEMBL6975952

SCHEMBL6975952

Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4CCOCC4)cc3c2CCNCCCCc2ccncc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.76

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
SCHEMBL7905635 0.91 GNRHR (0.64) GNRHR
SCHEMBL7905605 0.87
SCHEMBL8600810 0.86 GNRHR (0.81) GNRHR
SCHEMBL8600629 0.83 GNRHR (1.00) GNRHR
SCHEMBL6974460 0.83 GNRHR (0.79) GNRHR
Hydrochloric Acid SCHEMBL8698543 0.82 GNRHR (0.98) GNRHR
SCHEMBL6977543 0.82 GNRHR (0.53) GNRHR
SCHEMBL8698225 0.79 GNRHR (0.70) GNRHR
SCHEMBL7908444 0.79
SCHEMBL8569037 0.78 GNRHR (0.68) 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
EP-1095038-B1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2003-09-03 EP disclosed
EP-0873336-B1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-03-27 EP disclosed
US-6200957-B1 USEFUL FOR TREATMENT OF VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN MERCK & CO., INC. 2001-03-13 US disclosed