SCHEMBL8899205

SCHEMBL8899205

O=C1CCCCN1CCc1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
ACHE P22303 1/20 0.47
GAA P10253 1/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
DPP4 P27487 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TYRO3 Q06418 1/20 0.40

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
SCHEMBL917005 0.83 L3MBTL1 (0.68) L3MBTL1SMN1; SMN2RAB9AACHEGAA
SCHEMBL9527993 0.83 L3MBTL1 (0.68) HRH3L3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL4093054 0.82 MCHR1 (0.51) HRH3L3MBTL1CYP3A4SMN1; SMN2RAB9A
SCHEMBL5872163 0.82 L3MBTL1 (0.71) HRH3L3MBTL1SMN1; SMN2RAB9AACHE
SCHEMBL11323025 0.81 L3MBTL1 (0.51) HRH3L3MBTL1SMN1; SMN2RAB9AACHE
SCHEMBL3140840 0.79 KMT2A (0.53) HRH3L3MBTL1TDP1SMN1; SMN2RAB9A
SCHEMBL15242991 0.79 L3MBTL1 (0.45) HRH3L3MBTL1SMN1; SMN2RAB9AACHE
SCHEMBL13946703 0.79 HRH3 (0.54) HRH3L3MBTL1CYP3A4SMN1; SMN2RAB9A
SCHEMBL4893979 0.79 KMT2A (0.49) HRH3L3MBTL1SMN1; SMN2RAB9AACHE
SCHEMBL2132367 0.78 L3MBTL1 (0.60) L3MBTL1SMN1; SMN2RAB9AACHEGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686607-A Pyridyl ethylation of lactam derivatives MERCK & CO., INC. (US) 1997-11-11 US disclosed