SCHEMBL9363000

SCHEMBL9363000

CC(=O)N(N1C(=O)C(N(C(N)=O)c2cccc(N)c2)CC(c2ccccc2)CC1c1ccccc1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.33
OPRD1 P41143 1/20 0.32
HSD17B2 P37059 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL9362676 0.91 CCKBR (0.33) CCKBRHSD17B2ALDH1A1MAPTPKM
SCHEMBL8919334 0.91 CCKBR (0.40) CCKBRALDH1A1MAPTPKM
SCHEMBL9362630 0.91 CCKBR (0.40) CCKBRALDH1A1MAPTPKM
SCHEMBL9362251 0.90 CCKBR (0.42) CCKBRALDH1A1MAPTPKM
SCHEMBL9365784 0.89 SIGMAR1 (0.35) CCKBROPRD1
SCHEMBL9361986 0.89 CCKBR (0.37) CCKBR
SCHEMBL9362255 0.89 GRIN2B (0.37) CCKBRHSD17B2ALDH1A1MAPT
SCHEMBL9367185 0.87 CCKBR (0.44) CCKBRALDH1A1MAPTPKM
SCHEMBL9363055 0.87 CCKBR (0.33) CCKBR
SCHEMBL9365828 0.86 CCKBR (0.37) CCKBROPRD1ALDH1A1MAPTPKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625145-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1994-11-23 EP disclosed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO disclosed