SCHEMBL10550753

SCHEMBL10550753

CCCC(N)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.71
SLC6A3 Q01959 17/20 0.71
CYP3A4 P08684 2/20 0.66
ALOX15 P16050 2/20 0.66
TSHR P16473 2/20 0.66
TP53 P04637 1/20 0.66
SLC6A2 P23975 9/20 0.52
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
HTR2A P28223 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48

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
Hydrochloric Acid SCHEMBL2283 0.98 SLC6A4 (0.69) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL14277682 0.91 SLC6A4 (0.68) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL4912644 0.91 SLC6A4 (0.68) SLC6A4SLC6A3CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL1864 0.89 SLC6A4 (0.66) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL2102 0.86 SLC6A4 (0.54) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9864547 0.84 SLC6A4 (0.62) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9864280 0.83 SLC6A4 (0.58) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL3519750 0.83 SLC6A4 (1.00) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL7794188 0.83 SLC6A4 (0.49) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL10840419 0.83 SLC6A4 (0.78) SLC6A4SLC6A3CYP3A4ALOX15TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4806570-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1989-02-21 US claimed
US-4522828-A CYCLOBUTYLALKYLAMINE COMPOUNDS, ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1985-06-11 US claimed