SCHEMBL14685608

SCHEMBL14685608

CNC(=N)NCCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 19/20 0.65
▸ ECE1 P42892 1/20 0.57

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
SCHEMBL29657322 1.00 KISS1R (0.65) KISS1RECE1
SCHEMBL31718765 0.98 KISS1R (0.67) KISS1RECE1
SCHEMBL31718757 0.94 KISS1R (0.60) KISS1R
SCHEMBL29872904 0.94 KISS1R (0.59) KISS1RECE1
SCHEMBL29872703 0.93 KISS1R (0.64) KISS1RECE1
SCHEMBL31718774 0.92 KISS1R (0.58) KISS1R
SCHEMBL21851621 0.92 KISS1R (0.65) KISS1RECE1
SCHEMBL29657444 0.91 KISS1R (0.57) KISS1RECE1
SCHEMBL29657460 0.91 KISS1R (0.57) KISS1R
SCHEMBL29851826 0.90 KISS1R (0.64) KISS1RECE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013017631-A1 KISSPEPTIDE-PENTASACCHARIDE CONJUGATES MSD OSS B.V. (NL) 2013-02-07 — — WO disclosed
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