SCHEMBL27397236

SCHEMBL27397236

CN1CCC2=C(C1)N(C)CN2

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.32
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL23720774 0.71
SCHEMBL3514711 0.67
SCHEMBL8487410 0.63 L3MBTL1 (0.41) MAOAMAOBL3MBTL1CYP2C19CHRM2
SCHEMBL8499451 0.60 L3MBTL1 (0.53) MAOAMAOBL3MBTL1CYP2C19CHRM2
SCHEMBL12993113 0.60 MAOA (0.34) MAOAMAOBL3MBTL1CYP2C19CHRM2
SCHEMBL21537911 0.58 MAOA (0.33) MAOAMAOBL3MBTL1CYP2C19CHRM2
SCHEMBL12806639 0.58 MAOA (0.33) MAOAMAOBL3MBTL1CYP2C19
SCHEMBL26639396 0.58 MAOA (0.33) MAOAMAOBCYP2C19
SCHEMBL29313846 0.57 MAOA (0.35) MAOAMAOBCYP2C19CHRM2HTR1A
SCHEMBL2071122 0.56

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
EP-3958867-B1 SMALL MOLECULE BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-06-26 EP disclosed