SCHEMBL7646272

SCHEMBL7646272

CC(COCc1ccccc1)c1c(I)[nH]c2cnc(C(C)(C)C(=O)N3CC4CCC3CC4)cc12

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.41
CYP3A4 P08684 1/20 0.38

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
SCHEMBL7645854 1.00 GNRHR (0.41) GNRHRCYP3A4
SCHEMBL7643913 0.90 GNRHR (0.42) GNRHRCYP3A4
SCHEMBL7643917 0.90 GNRHR (0.42) GNRHRCYP3A4
SCHEMBL7645079 0.88 GNRHR (0.55) GNRHRCYP3A4
SCHEMBL7990467 0.77 CACNA1B (0.41) GNRHRCYP3A4
SCHEMBL8479688 0.75 GNRHR (0.57) GNRHRCYP3A4
SCHEMBL8479692 0.75 GNRHR (0.57) GNRHRCYP3A4
SCHEMBL7990466 0.74 GNRHR (0.48) GNRHR
SCHEMBL8479408 0.70 GNRHR (0.44) GNRHRCYP3A4
SCHEMBL8479412 0.70 GNRHR (0.44) GNRHRCYP3A4

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
EP-1165075-A4 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-04-10 EP disclosed
EP-1165075-A1 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
US-6180642-B1 SEXUAL DISORDERS; CONTRACEPTIVES MERCK & CO., INC. 2001-01-30 US disclosed
WO-2000053180-A1 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 2000-09-14 WO disclosed