SCHEMBL31329482

SCHEMBL31329482

CCOc1c(B(O)O)cccc1N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.47
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
ADRB1 P08588 4/20 0.45
HTR6 P50406 3/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 2/20 0.43

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
SCHEMBL6925565 0.81 HTR6 (0.53) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL27204343 0.76 ADRB1 (0.61) HTR1ADRD2DRD3HTR2AADRB1
SCHEMBL255189 0.74 HTR1A (0.68) HTR1ADRD2DRD3DRD4ADRB1
SCHEMBL7524534 0.74 HTR1A (0.68) HTR1ADRD2DRD3DRD4ADRB1
Hydrochloric Acid SCHEMBL787250 0.73 MAPT (0.69) HTR1ADRD2DRD3DRD4ADRB1
Hydrochloric Acid SCHEMBL16528267 0.73 MAPT (0.69) HTR1ADRD2DRD3DRD4ADRB1
Bromide SCHEMBL10621563 0.73 HTR1A (0.66) HTR1ADRD2DRD3DRD4ADRB1
SCHEMBL5371603 0.72 DRD2 (0.62) HTR1ADRD2DRD3DRD4HTR2A
Hydrochloric Acid SCHEMBL15938311 0.72 HTR1A (0.64) HTR1ADRD2DRD3DRD4ADRB1
SCHEMBL3792278 0.72 ALDH1A1 (0.46) HTR2ACYP2C19LMNAMAPTSLC6A4

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-112930340-B New synthetic method of piperazinyl-ethoxy-bromophenyl derivatives and their use in the production of compounds containing them 法国施维雅药厂 2025-01-07 CN disclosed