SCHEMBL7296649

SCHEMBL7296649

O=C1NCCc2c1c1cccc(F)c1n2COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.46
ALB P02768 3/20 0.46
ACHE P22303 2/20 0.46
BRD4 O60885 2/20 0.39
MCHR1 Q99705 1/20 0.38

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
SCHEMBL7296072 0.86 BCHE (0.45) BCHEALBACHEMCHR1
SCHEMBL1268 0.83 BCHE (0.62) BCHEALBACHEBRD4
SCHEMBL7286323 0.76 BRD4 (0.47) BCHEALBACHEBRD4
SCHEMBL7291967 0.73 CYP1A2 (0.56)
SCHEMBL7285339 0.72 BRD4 (0.42) BCHEALBACHEBRD4MCHR1
SCHEMBL7292567 0.71 MCHR1 (0.52) BCHEALBACHEBRD4MCHR1
SCHEMBL7291788 0.69 RIPK3 (0.42) BCHEALBACHEBRD4
SCHEMBL588 0.69 BCHE (0.69) BCHEALBACHEBRD4
SCHEMBL6921111 0.68 CSNK2A2 (0.53) BRD4
SCHEMBL7294032 0.67 BCHE (0.49) BCHEALBACHEMCHR1

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-0353983-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1996-05-29 EP disclosed
US-5183820-A Useful for treatment of nausea, vomiting, irritable bowel syndrome and dyspepsia GLAXO GROUP LIMITED (GB) 1993-02-02 US disclosed