SCHEMBL10345280

SCHEMBL10345280

CCOc1ccccc1OCC1(O)CCN(c2ccccc2)C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
FFAR1 O14842 1/20 0.41
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
HCN4 Q9Y3Q4 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
GAA P10253 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL10345161 0.84 MAPK1 (0.36) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL10345698 0.69 ALDH1A1 (0.46) L3MBTL1GLAALDH1A1HPGDHSD17B10
SCHEMBL10345569 0.67 CHRM2 (0.58) L3MBTL1ALDH1A1HSD17B10KDM4ECHRM2
SCHEMBL10345149 0.65 CHRM2 (0.53) ALDH1A1KMT2AKDM4ECHRM2CHRM3
SCHEMBL10345634 0.64 SIGMAR1 (0.45) L3MBTL1GLAALDH1A1MAPTHCN4
Hydrochloric Acid SCHEMBL10345568 0.63 SIGMAR1 (0.44) L3MBTL1GLAALDH1A1MAPTHCN4
SCHEMBL10345611 0.63 ACHE (0.44) L3MBTL1GLAALDH1A1KDM4ECHRM2
1,2-Diethoxybenzene SCHEMBL578986 0.63 ALDH1A1 (0.68) L3MBTL1GLAALOX15ALDH1A1HPGD
1,2-Diethoxybenzene SCHEMBL29428929 0.63 ALDH1A1 (0.68) L3MBTL1GLAALOX15ALDH1A1HPGD
Iodide SCHEMBL10345164 0.62 ACHE (0.43) L3MBTL1GLAALDH1A1KDM4ECHRM2

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-0152236-B1 ARYLOXYMETHYLPYRROLIDINOLS AND PIPERIDINOLS HAVING ANTIDEPRESSANT, ANTIARHYTHMIC OR HYPOTENSIVE ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1990-04-18 EP claimed