SCHEMBL9700596

SCHEMBL9700596

CSC[C@@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.72

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
SCHEMBL7664151 0.93 CCKBR (0.69) CCKBR
SCHEMBL7669636 0.88 CCKBR (0.66) CCKBR
SCHEMBL9538471 0.88 CCKBR (0.69) CCKBR
SCHEMBL9701932 0.87 CCKBR (0.67) CCKBR
SCHEMBL6896748 0.86 CCKBR (0.73) CCKBR
SCHEMBL6896752 0.86 CCKBR (0.73) CCKBR
SCHEMBL7685396 0.85 CCKBR (0.70) CCKBR
SCHEMBL7820341 0.85 CCKBR (0.81) CCKBR
SCHEMBL8700832 0.85 CCKBR (0.81) CCKBR
SCHEMBL6888256 0.85 CCKBR (0.81) 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
WO-1992004320-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED Trp DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed