SCHEMBL8030149

SCHEMBL8030149

Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(C(C)C)C(C)C)cc3c2CCN(Cc2ccc(-c3cccnc3)cc2)Cc2ccc(-c3cccnc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 11/20 0.55
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45

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
SCHEMBL8397440 0.87 GNRHR (0.51) GNRHRTLR8TLR7
SCHEMBL8344835 0.87 GNRHR (0.63) GNRHR
SCHEMBL8184205 0.80 GNRHR (0.67) GNRHR
SCHEMBL8176808 0.78 GNRHR (0.59) GNRHR
SCHEMBL7829040 0.76 GNRHR (0.51) GNRHR
SCHEMBL8695292 0.71 GNRHR (0.81) GNRHR
SCHEMBL6985175 0.69 GNRHR (0.53) GNRHR
SCHEMBL7899428 0.69 GNRHR (0.51) GNRHR
SCHEMBL6981787 0.68 GNRHR (0.51) GNRHR
SCHEMBL6983188 0.68 GNRHR (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6156772-A INDOLE HORMONE INHIBITORS MERCK & CO., INC. (US) 2000-12-05 US disclosed
WO-2000069433-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 2000-11-23 WO disclosed