SCHEMBL19966664

SCHEMBL19966664

CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)NC(C(=O)N[C@H](CCC(N)=O)C(=O)O)c2ccccc2)CN(C2CCCCC2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 7/20 0.36
CCKBR P32239 7/20 0.36
ACE P12821 6/20 0.35
MME P08473 1/20 0.35

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
SCHEMBL22472826 0.84 CCKAR (0.38) CCKARCCKBRACEMME
SCHEMBL19965093 0.82 ACE (0.46) CCKARCCKBRACE
SCHEMBL19965179 0.82 ACE (0.47) CCKARCCKBRACEMME
SCHEMBL19965095 0.80 CCKAR (0.40) CCKARCCKBRACE
SCHEMBL19966631 0.79 CCKBR (0.45) CCKARCCKBRACEMME
SCHEMBL19965087 0.78 SCN9A (0.44) CCKARCCKBRACEMME
SCHEMBL19965180 0.78 ACE (0.39) CCKARCCKBRACE
SCHEMBL6178534 0.78 CCKBR (0.48) CCKARCCKBR
SCHEMBL22472825 0.77 ACE (0.42) CCKARCCKBRACEMME
SCHEMBL19965078 0.77 SCN9A (0.42) CCKARCCKBRACEMME

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-2018049129-A1 CHOLECYSTOKININ 2 RECEPTOR TARGETED NIR IMAGING AND USE THEREOF On Target Laboratories, LLC (US) 2018-03-15 WO disclosed