SCHEMBL2422

SCHEMBL2422

CCCCCC1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.54
SLC6A3 Q01959 11/20 0.54
SLC6A2 P23975 7/20 0.54
CNR1 P21554 3/20 0.47
CNR2 P34972 3/20 0.47
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2A P28223 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL15043679 0.90 SLC6A4 (0.59) SLC6A4SLC6A3SLC6A2CNR1CNR2
SCHEMBL15043625 0.87 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL9399121 0.85 CNR2 (0.57) SLC6A4SLC6A3SLC6A2CNR1CNR2
SCHEMBL15043618 0.84 SLC6A4 (0.59) SLC6A4SLC6A3SLC6A2
SCHEMBL12002388 0.82 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2
SCHEMBL10604569 0.82 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2CNR1CNR2
SCHEMBL5153687 0.81 SLC6A3 (0.57) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL5308752 0.81 SLC6A3 (0.57) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL5310266 0.81 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL5308783 0.81 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4814352-A ANTIDEPRESSANT CYCLOBUTYL BENZYLAMINE THE BOOTS COMPANY PLC (GB) 1989-03-21 US disclosed
US-4806570-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1989-02-21 US disclosed
US-4767790-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1988-08-30 US disclosed
US-4746680-A ANTIDEPRESSANTS THE BOOTS COMPANY P.L.C. (GB) 1988-05-24 US disclosed