SCHEMBL9736899

SCHEMBL9736899

Nc1ccc(OCCCCNCc2cnc3ccccc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE10A Q9Y233 1/20 0.42
KMT2A Q03164 2/20 0.41
DRD2 P14416 5/20 0.38
DRD4 P21917 5/20 0.38
DRD3 P35462 5/20 0.38
MEN1 O00255 1/20 0.38
CHRM2 P08172 1/20 0.38
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
APP P05067 2/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 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
SCHEMBL9736957 0.85 CYSLTR1 (0.50) PDE10ACYSLTR2CYSLTR1
SCHEMBL9753196 0.82 DRD2 (0.56) MAPTNPC1ALDH1A1RAB9AKMT2A
SCHEMBL9736902 0.74 MAPT (0.45) MAPTNPC1ALDH1A1RAB9AKDM4E
SCHEMBL21674292 0.72 PDE10A (0.55) MAPTNPC1ALDH1A1RAB9AKDM4E
SCHEMBL9732564 0.70 MAPT (0.39) MAPTNPC1ALDH1A1RAB9AKDM4E
SCHEMBL2022332 0.69 DRD4 (0.62) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL9739211 0.68 DRD2 (0.56) MAPTALDH1A1KDM4EKMT2ADRD2
SCHEMBL563017 0.67 TDP1 (0.61) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8812790 0.67 CHRM2 (0.58) DRD2DRD4DRD3CHRM2
SCHEMBL6961128 0.66 DRD4 (0.77) MAPTNPC1RAB9AKDM4ESMN1; SMN2

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
US-5084463-A Cardiovascular disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US disclosed