SCHEMBL10380385

SCHEMBL10380385

NCCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.60
KISS1R Q969F8 4/20 0.59
CCKBR P32239 5/20 0.58
CCKAR P32238 1/20 0.55

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
SCHEMBL24500027 0.92 GHSR (0.69) GHSRKISS1R
SCHEMBL9854726 0.92 CCKBR (0.66) KISS1RCCKBRCCKAR
SCHEMBL9854702 0.87 KISS1R (0.67) KISS1RCCKBR
SCHEMBL24588379 0.85 ALDH1A1 (0.58) GHSRKISS1R
SCHEMBL30999519 0.83 GHSR (0.64) GHSRCCKBR
SCHEMBL30343493 0.83 CCKBR (0.72) GHSRCCKBRCCKAR
SCHEMBL13933760 0.82 GHSR (0.58) GHSRCCKBRCCKAR
SCHEMBL2942999 0.82 GHSR (0.58) GHSRCCKBRCCKAR
SCHEMBL30539459 0.81 GHSR (0.59) GHSRCCKBRCCKAR
SCHEMBL30539457 0.81 GHSR (0.59) GHSRCCKBRCCKAR

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-1990006937-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1990-06-28 WO disclosed