SCHEMBL7284065

SCHEMBL7284065

O=C1NCCc2[nH]c3c(OCc4ccccc4)cccc3c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.47
EGFR P00533 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
CDC7 O00311 1/20 0.44
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
LTA4H P09960 1/20 0.41
PLA2G2A P14555 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
SRD5A2 P31213 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
ALB P02768 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BRD4 O60885 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL7294857 0.80 MAPKAPK2 (0.50) EGFRCDC7MAPK9MAPKAPK2MAPT
SCHEMBL25634131 0.77 HTR2C (0.51) PIK3CGADORA3LTA4HPLA2G2ATRPM8
SCHEMBL31153238 0.77 HTR2C (0.51) PIK3CGADORA3LTA4HPLA2G2ATRPM8
SCHEMBL8110408 0.76 TAAR1 (0.53) PIK3CGADORA3LTA4HPLA2G2ATRPM8
Hydrochloric Acid SCHEMBL2243649 0.75 TAAR1 (0.55) PIK3CGADORA3LTA4HPLA2G2ATRPM8
SCHEMBL7292567 0.74 MCHR1 (0.52) ADORA3ALBBCHEACHEBRD4
SCHEMBL7296072 0.74 BCHE (0.45) ALBBCHEACHEMCHR1
SCHEMBL8769400 0.73 PRKCA (0.52) PIK3CGEGFRADORA3LTA4HPLA2G2A
SCHEMBL7286094 0.72 CDC7 (0.52) CDC7PIM1PIM2MAPK9MAPKAPK2
SCHEMBL7294516 0.72 CDC7 (0.52) CDC7PIM1PIM2MAPK9MAPKAPK2

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 3 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
EP-0353983-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1990-02-07 EP disclosed