SCHEMBL8552734

SCHEMBL8552734

CC1=NC(N)C(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.39
POLQ O75417 1/20 0.39
CCKAR P32238 2/20 0.39
CCKBR P32239 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39

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
SCHEMBL9573635 0.87 GABRP (0.56) POLBTP53CCKARCCKBRGABRP
SCHEMBL8796363 0.86 ALDH1A1 (0.62) ALDH1A1LMNATP53CCKARCCKBR
Bromide SCHEMBL8795194 0.85 ALDH1A1 (0.61) ALDH1A1CCKARCCKBR
SCHEMBL8550878 0.85 CCKBR (0.45) POLBALDH1A1CCKARCCKBR
SCHEMBL9573583 0.84 CCKBR (0.47) ALDH1A1CCKARCCKBRGABRPGABRD
SCHEMBL8553824 0.80 POLB (0.41) POLBALDH1A1LMNATP53
SCHEMBL8554660 0.79 CCKAR (0.47) CCKARCCKBR
Benzyl Carbamate SCHEMBL8093423 0.78 ALDH1A1 (0.52) ALDH1A1CCKARCCKBR
SCHEMBL8554316 0.76 OXTR (0.41) ALDH1A1CCKARCCKBR
SCHEMBL8555479 0.75 CCKBR (0.43) POLBLMNATP53CCKARCCKBR

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-0672037-B1 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS GLAXO GROUP LTD (GB) 1998-07-08 EP disclosed
US-5569654-A ADMINISTERING AS ANTAGONISTS OF GASTRIN AND CHOLECYSTOKININ GLAXO GROUP LIMITED (GB) 1996-10-29 US disclosed