SCHEMBL27683045

SCHEMBL27683045

c1ccc(NCCC2CCNCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.55
MAOB P27338 3/20 0.55
MAOA P21397 2/20 0.55
GBA1 P04062 1/20 0.50
KHK P50053 1/20 0.49
MAN1B1 Q9UKM7 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A4 P31645 1/20 0.42
NAMPT P43490 1/20 0.42
SOS1 Q07889 1/20 0.41
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
BRD4 O60885 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3389631 0.90 ALDH1A1 (0.52) KDM1AMAOBMAOAGBA1KHK
SCHEMBL17064950 0.87 ALDH1A1 (0.54) KDM1AMAOBMAOAMAN1B1ALDH1A1
SCHEMBL6224721 0.83 KDM1A (0.50) KDM1AMAOBMAOAGBA1MAN1B1
SCHEMBL22694642 0.81 KDM1A (0.53) KDM1AMAOBMAOAGBA1MAN1B1
SCHEMBL21266856 0.81 KDM1A (0.53) KDM1AMAOBMAOAGBA1MAN1B1
SCHEMBL24767234 0.81 KDM1A (0.53) KDM1AMAOBMAOAGBA1MAN1B1
SCHEMBL22404280 0.81 KDM1A (0.53) KDM1AMAOBMAOAGBA1MAN1B1
SCHEMBL3628527 0.81 GBA1 (0.53) KDM1AMAOBMAOAGBA1KHK
Hydrochloric Acid SCHEMBL7093141 0.81 BRD4 (0.43) KDM1AMAOBMAOAKHKITGB3
Methane SCHEMBL3590620 0.80 GBA1 (0.52) KDM1AMAOBMAOAGBA1KHK

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
CN-101080388-B Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them SANOFI AVENTIS DEUTSCHLAND 2010-12-22 CN disclosed
CN-101080388-A Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them SANOFI AVENTIS DEUTSCHLAND (DE) 2007-11-28 CN disclosed