SCHEMBL8031378

SCHEMBL8031378

COc1cccc(C(CCO)c2ccccn2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.39
TSHR P16473 1/20 0.39
CHRM2 P08172 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL8018549 0.83 CHRM2 (0.42) ALDH1A1MAPTL3MBTL1KDM4ETRPM8
SCHEMBL8034147 0.78 SMN1; SMN2 (0.47) ALDH1A1MAPTL3MBTL1KDM4ETRPM8
SCHEMBL6032828 0.75 POLB (0.49) L3MBTL1TSHRSLC6A4MEN1KMT2A
SCHEMBL8018556 0.74 SLC6A2 (0.43) ALDH1A1L3MBTL1KDM4ETSHRCHRM2
SCHEMBL6292665 0.73 KDM4E (0.50) ALDH1A1MAPTL3MBTL1KDM4ERAB9A
SCHEMBL11398150 0.72 ACHE (0.51) ALDH1A1MAPTKDM4ECHRM2MEN1
SCHEMBL11387106 0.70 MEN1 (0.50) L3MBTL1TSHRSLC6A2SLC6A4MEN1
SCHEMBL6507493 0.69 CA1 (0.40) ALDH1A1MAPTL3MBTL1KDM4ETSHR
SCHEMBL6292851 0.69 RAB9A (0.39) MAPTL3MBTL1KDM4ENPC1RAB9A
SCHEMBL8028205 0.68 SLC6A2 (0.43) ALDH1A1L3MBTL1KDM4ETSHRCHRM2

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