SCHEMBL25633197

SCHEMBL25633197

C=C(C)N1CCC(N(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.42
KDM1A O60341 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
MCHR1 Q99705 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
PDK2 Q15119 1/20 0.33
HRH3 Q9Y5N1 5/20 0.32

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
SCHEMBL22699009 0.87 L3MBTL3 (0.48) L3MBTL3L3MBTL1
SCHEMBL23916097 0.82 L3MBTL3 (0.31) L3MBTL3
SCHEMBL21739319 0.80 L3MBTL3 (0.33) L3MBTL3
SCHEMBL8159119 0.79 L3MBTL3 (0.50) L3MBTL3KDM1AMAOAMAOBMCHR1
SCHEMBL8153223 0.79 L3MBTL3 (0.50) L3MBTL3KDM1AMAOAMAOBMCHR1
SCHEMBL1196740 0.79 L3MBTL3 (0.50) L3MBTL3KDM1AMAOAMAOBMCHR1
SCHEMBL13328197 0.79 L3MBTL3 (0.39) L3MBTL3KDM1AMAOAMAOBMCHR1
SCHEMBL1196738 0.78 L3MBTL3 (0.49) L3MBTL3KDM1AMAOAMAOBMCHR1
SCHEMBL27824379 0.77 MCHR1 (0.52) L3MBTL3KDM1AMAOAMAOBMCHR1
SCHEMBL27847741 0.77 MCHR1 (0.52) L3MBTL3KDM1AMAOAMAOBMCHR1

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
WO-2023098825-A1 SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 勤浩医药(苏州)有限公司 2023-06-08 WO disclosed