SCHEMBL6896752

SCHEMBL6896752

CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(CSCC(=O)O)Cc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.73

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
SCHEMBL6896748 1.00 CCKBR (0.73) CCKBR
SCHEMBL7668755 0.90 CCKBR (0.88) CCKBR
SCHEMBL6895794 0.90 CCKBR (0.88) CCKBR
SCHEMBL6895754 0.88 CCKBR (0.77) CCKBR
SCHEMBL7663020 0.88 CCKBR (0.77) CCKBR
SCHEMBL7665345 0.87 CCKBR (0.73) CCKBR
SCHEMBL6897895 0.87 CCKBR (0.73) CCKBR
SCHEMBL7664494 0.86 CCKBR (0.74) CCKBR
SCHEMBL6887129 0.86 CCKBR (0.72) CCKBR
SCHEMBL6887124 0.86 CCKBR (0.72) CCKBR

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
EP-0405537-B1 N-substituted cycloalkyl and polycycloalkyl alpha-substituted Trp-Phe- and phenethylamine derivatives WARNER LAMBERT CO (US) 2004-09-08 EP disclosed