SCHEMBL3386586

SCHEMBL3386586

O=[N+]([O-])c1cccc2ccc(N3CC4CCCC(C3)N4)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 3/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MITF O75030 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CHRNB2 P17787 1/20 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
SCHEMBL3386085 0.84 PDE10A (0.42) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3382640 0.75 ALDH1A1 (0.61) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL20340591 0.74 GAA (0.60) PDE10AHPGDMAPTALDH1A1MAPK1
SCHEMBL3541348 0.69 ALDH1A1 (0.64) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL27930198 0.68 PDE10A (0.59) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL4591181 0.67 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL5780925 0.67 PDE10A (0.43) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL18177308 0.65 GAA (0.57) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL22119735 0.65 PDE10A (0.59) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL30033520 0.65 PDE10A (0.59) PDE10AMEN1KMT2ASMN1; SMN2HPGD

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-1984366-B1 3, 9-DIAZABICYCLO Ý3.3. 1¨NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-12-15 EP claimed