SCHEMBL11515869

SCHEMBL11515869

CC(C)NC(=O)N1CCc2[nH]cnc2C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
CYP3A4 P08684 3/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
HIF1A Q16665 1/20 0.37
RECQL P46063 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 6/20 0.36
CDK2 P24941 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
Hydrochloric Acid SCHEMBL11517181 0.99 HRH3 (0.39) HRH3CYP3A4ATMSMN1; SMN2PKM
SCHEMBL11516079 0.85 LMNA (0.45) HRH3ATMSMN1; SMN2MAPK1TDP1
SCHEMBL11515494 0.85 BAZ2B (0.43) HRH3
Hydrochloric Acid SCHEMBL11516834 0.84 LMNA (0.44) ATMSMN1; SMN2MAPK1TDP1
SCHEMBL12662820 0.80 BAZ2B (0.43) MAPK1
SCHEMBL11516180 0.79 POLB (0.51) ATMSMN1; SMN2MAPK1HSD17B10
SCHEMBL15490068 0.78 POLB (0.37) ATM
SCHEMBL11516638 0.78 KDM4E (0.45) ATMMAPK1HSD17B10
SCHEMBL1994788 0.78 NAMPT (0.38) HRH3MAPK1
SCHEMBL15492450 0.76 CREBBP (0.47) HRH3

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