SCHEMBL7084005

SCHEMBL7084005

CCCCC(CCC)Cc1cccn1-c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCc3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.41

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
SCHEMBL6983848 0.86 GNRHR (0.57) GNRHR
SCHEMBL6982756 0.80 HDAC1 (0.41) GNRHR
SCHEMBL6984830 0.79 GNRHR (0.43) GNRHR
SCHEMBL7084004 0.74 GNRHR (0.43) GNRHR
SCHEMBL6978088 0.68 POLB (0.53) GNRHR
SCHEMBL8698046 0.62 GNRHR (0.54) GNRHR
SCHEMBL7912503 0.59 GNRHR (0.72) GNRHR
SCHEMBL8002899 0.59 GNRHR (1.00) GNRHR
SCHEMBL7605067 0.58 ALDH1A1 (0.50)
SCHEMBL7995735 0.57 GNRHR (0.84) 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