SCHEMBL6895979

SCHEMBL6895979

CC(Cc1c[nH]c2ccccc12)(C(=O)NCC(N)c1ccccc1)N(C(=O)O)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.49
CCKAR P32238 1/20 0.49

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
SCHEMBL6895974 1.00 CCKBR (0.49) CCKBRCCKAR
Ammonia Solution, Strong SCHEMBL6890502 0.99 CCKBR (0.48) CCKBRCCKAR
SCHEMBL6890533 0.84 CCKBR (0.64) CCKBR
SCHEMBL6897076 0.80 CCKBR (0.51) CCKBR
SCHEMBL6897079 0.80 CCKBR (0.51) CCKBR
SCHEMBL9528054 0.78 NMBR (0.49) CCKBR
SCHEMBL8896081 0.75 TACR1 (0.54) CCKBR
SCHEMBL8829914 0.75 TACR1 (0.54) CCKBR
SCHEMBL9531880 0.74 CCKBR (0.45) CCKBR
SCHEMBL9531873 0.74 CCKBR (0.45) 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 3 patents. 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
EP-0479910-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED Trp-Phe- AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-04-15 EP disclosed
WO-1991000274-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED TRP-PHE- AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1991-01-10 WO disclosed