SCHEMBL8308191

SCHEMBL8308191

NCC1(Cc2ccccc2)CO1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.47
MAOB P27338 8/20 0.47
LOXL2 Q9Y4K0 2/20 0.41
KDM1A O60341 4/20 0.39
TAAR1 Q96RJ0 2/20 0.38
CYP2A6 P11509 1/20 0.38
HTR2A P28223 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DPP4 P27487 1/20 0.35
NOS2 P35228 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
SCHEMBL3870625 1.00 MAOA (0.47) MAOAMAOBLOXL2KDM1ATAAR1
SCHEMBL4912036 1.00 MAOA (0.47) MAOAMAOBLOXL2KDM1ATAAR1
SCHEMBL23611125 0.87 MAOA (0.48) MAOAMAOBLOXL2KDM1A
SCHEMBL3886896 0.86 MAOA (0.39) MAOAMAOBLOXL2KDM1ATAAR1
SCHEMBL9384798 0.79 MAOA (0.42) MAOAMAOBKDM1ANOS2
SCHEMBL8990310 0.78 MAOA (0.41) MAOAMAOBKDM1A
SCHEMBL7269135 0.74 KDM1A (0.43) MAOAMAOBLOXL2KDM1ATAAR1
SCHEMBL476346 0.73 TDP1 (0.38) MAOAMAOBTAAR1SMN1; SMN2
SCHEMBL7402503 0.72 MAOA (0.48) MAOAMAOBLOXL2KDM1ATAAR1
Ammonia Solution, Strong SCHEMBL14691839 0.72 MAOA (0.48) MAOAMAOBKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901480-A4 PROCESS FOR PREPARING OXIRANEMETHANAMINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA (US) 1999-11-24 EP disclosed
EP-0901480-A1 PROCESS FOR PREPARING OXIRANEMETHANAMINE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1999-03-17 EP disclosed
WO-1997042180-A1 PROCESS FOR PREPARING OXIRANEMETHANAMINE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-11-13 WO disclosed