SCHEMBL7908680

SCHEMBL7908680

CCN1CCN(c2ccc3[nH]c(-c4cc(C)cc(C)c4)c(CCN(CCCCc4ccc([N+](=O)[O-])cc4)Cc4ccccc4)c3c2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 5/20 0.41
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL7908397 0.92 GNRHR (0.43) GNRHR
SCHEMBL7912485 0.87 GNRHR (0.51) GNRHR
SCHEMBL7905557 0.84 GNRHR (0.42) GNRHR
SCHEMBL8326584 0.81 GNRHR (0.43) GNRHRDRD2HTR2AHTR2C
SCHEMBL7907197 0.79 GNRHR (0.44) GNRHR
SCHEMBL7911998 0.77 GNRHR (0.56) GNRHR
SCHEMBL6981787 0.77 GNRHR (0.51) GNRHR
SCHEMBL7908406 0.77 GNRHR (0.41) GNRHR
SCHEMBL7912488 0.76 GNRHR (0.42) GNRHR
SCHEMBL7899429 0.76 GNRHR (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197975-B1 7-AZABICYCLO(2.2.1)HEPTANE-7-CARBONYL-SUBSTITUTED 2-PHENYLINDOLE DERIVATIVES; SEXUAL DISORDERS; ANTICARCINOGENIC AGENTS MERCK & CO. , INC. 2001-03-06 US disclosed
EP-0882040-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 1999-02-10 EP disclosed
EP-0882040-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997021707-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed