SCHEMBL8034147

SCHEMBL8034147

COc1ccc(C(CCO)c2ccccn2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.47
SYK P43405 4/20 0.46
RAB9A P51151 6/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 5/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
MITF O75030 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL8031378 0.78 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MAPTTSHRRAB9A
SCHEMBL4659696 0.77 BCHE (0.58) MAPTKDM4E
SCHEMBL8018549 0.77 CHRM2 (0.42) ALDH1A1MAPTTSHRSYKRAB9A
SCHEMBL4659805 0.76 BCHE (0.50) SMN1; SMN2ALDH1A1MAPTKMT2AKDM4E
SCHEMBL20681679 0.75 RAB9A (0.45) SMN1; SMN2ALDH1A1MAPTTSHRSYK
SCHEMBL6291795 0.73 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTTSHRSYK
SCHEMBL13493018 0.73 ADRA2A (0.53) KMT2AMEN1
SCHEMBL23610044 0.73 ADRA2A (0.50) SMN1; SMN2ALDH1A1MAPTTSHRSYK
SCHEMBL31143602 0.73 ADRA2A (0.50) SMN1; SMN2ALDH1A1MAPTTSHRSYK
SCHEMBL23610042 0.73 ADRA2A (0.50) SMN1; SMN2ALDH1A1MAPTTSHRSYK

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
WO-2000073269-A2 NICOTINE RECEPTOR LIGANDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2000-12-07 WO disclosed