SCHEMBL29257520

SCHEMBL29257520

CC1NCCOC1(C)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.49
SLC6A3 Q01959 2/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
OPRM1 P35372 6/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRIN1 Q05586 1/20 0.31

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
SCHEMBL10431695 0.81 SLC6A2 (0.34) SLC6A2
SCHEMBL5323083 0.76 SLC6A2 (0.44) SLC6A2SLC6A3ADRA1AHTR2BCHRM2
SCHEMBL9876702 0.72 KMT2A (0.33)
SCHEMBL20448563 0.71 SLC6A2 (0.33) SLC6A2SLC6A3ADRA1AHTR2BCHRNB2
SCHEMBL26153825 0.70 SLC6A2 (0.45) SLC6A2SLC6A3OPRM1CHRM2CHRM4
SCHEMBL16795106 0.70 SLC6A2 (0.45) SLC6A2SLC6A3OPRM1CHRM2CHRM4
SCHEMBL26153822 0.70 SLC6A2 (0.45) SLC6A2SLC6A3OPRM1CHRM2CHRM4
SCHEMBL16347827 0.69 SLC6A2 (0.47) SLC6A2OPRM1CHRM2CHRM4CHRM5
SCHEMBL18722932 0.69 CHRNB2 (0.49) SLC6A2SLC6A3OPRM1ALDH1A1LMNA
SCHEMBL15551866 0.69 SLC6A2 (0.41) SLC6A2TSHRALDH1A1GRIN1GRIN2A

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
CN-118176185-A 2- (Aryl-2-yl) morpholine and deuterated derivative thereof, preparation method and application 上海翰森生物医药科技有限公司 2024-06-11 CN disclosed