SCHEMBL7818237

SCHEMBL7818237

OCCC1(Cc2ccccc2)CCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL6648834 0.94 MAOA (0.44) GAAMAOAMAOBALDH1A1POLB
SCHEMBL4896837 0.85 GAA (0.51) GAAMAOAMAOBALDH1A1POLB
SCHEMBL1588016 0.84 MAOA (0.52) GAAMAOAMAOBALDH1A1POLB
SCHEMBL4581280 0.84 MAOA (0.52) GAAMAOAMAOBALDH1A1POLB
SCHEMBL268688 0.84 MAOA (0.52) GAAMAOAMAOBALDH1A1POLB
SCHEMBL4896945 0.82 GAA (0.52) GAAMAOAMAOBALDH1A1POLB
SCHEMBL9181453 0.82 KMT2A (0.41) GAAMAOAMAOBALDH1A1POLB
SCHEMBL7223018 0.82 MEN1 (0.41) GAAMAOAMAOBALDH1A1POLB
SCHEMBL8347115 0.82 MAOA (0.54) GAAMAOAMAOBALDH1A1POLB
SCHEMBL29144853 0.81 MAOA (0.42) GAAMAOAMAOBALDH1A1POLB

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
EP-0745598-B1 Piperazine, piperidine and 1,2,5,6-tetrahydropyridine derivatives, proces for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-08-22 EP disclosed
EP-0745598-A1 Piperazine, piperidine and 1,2,5,6-tetrahydropyridine derivatives, proces for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed