SCHEMBL11516638

SCHEMBL11516638

O=C(NC1CC1)N1CCc2[nH]cnc2C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.44
PIP5K1C O60331 4/20 0.43
HPGDS O60760 4/20 0.38
HTT P42858 1/20 0.36
USP30 Q70CQ3 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
ENPP2 Q13822 1/20 0.34

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
SCHEMBL11516180 0.95 POLB (0.51) KDM4EALDH1A1MAPTMAPK1CASP1
SCHEMBL11518328 0.84 MAPT (0.45) KDM4EALDH1A1MAPTMAPK1POLB
SCHEMBL11515494 0.82 BAZ2B (0.43) POLB
SCHEMBL11517624 0.79 ALDH1A1 (0.51) KDM4EALDH1A1MAPTPOLBHTT
SCHEMBL11515869 0.78 HRH3 (0.39) MAPK1ATMHSD17B10
SCHEMBL1994788 0.78 NAMPT (0.38) KDM4EMAPK1POLBENPP2
SCHEMBL11515001 0.78 ALDH1A1 (0.53) KDM4EALDH1A1MAPTPOLBHTT
Hydrochloric Acid SCHEMBL11517181 0.77 HRH3 (0.39) MAPK1ATMHSD17B10
SCHEMBL31595886 0.77 NAMPT (0.37) KDM4EMAPK1POLBENPP2
SCHEMBL12662820 0.77 BAZ2B (0.43) MAPTMAPK1ENPP2

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
US-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US claimed
US-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US disclosed