SCHEMBL11111015

SCHEMBL11111015

CNC(C)CC1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 17/20 0.55
SLC6A4 P31645 16/20 0.55
SLC6A2 P23975 5/20 0.55
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR2A P28223 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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 SCHEMBL11109310 0.98 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL11110074 0.82 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL5310700 0.80 SLC6A3 (0.55) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL11106476 0.80 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL7708664 0.79 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL11106792 0.79 CYP3A4 (0.55) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL5310530 0.78 SLC6A3 (0.52) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL27873517 0.77 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL27963091 0.77 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL5141340 0.77 SLC6A3 (0.63) SLC6A3SLC6A4SLC6A2

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
US-4443449-A Arylcyclobutylalkylamines and anti-depression composition and methods using same THE BOOTS COMPANY LIMITED (GB) 1984-04-17 US claimed