SCHEMBL9864734

SCHEMBL9864734

CNC(CCCCOC)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.49
SLC6A3 Q01959 18/20 0.49
SLC6A2 P23975 10/20 0.49
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
Maleic Acid SCHEMBL9863917 0.90 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Fumaric Acid SCHEMBL9863925 0.90 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL9863935 0.88 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL9864439 0.84 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL1902 0.83 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL9864001 0.82 SLC6A4 (0.57) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL2434 0.80 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL9863831 0.80 SLC6A3 (0.60) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Fumaric Acid SCHEMBL9864418 0.79 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Maleic Acid SCHEMBL9864410 0.79 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15

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-5047432-A Antidepressants THE BOOTS COMPANY PLC (GB) 1991-09-10 US disclosed
US-4925879-A ANTIDEPRESSANTS BOOTS COMPANY, PLC (GB) 1990-05-15 US disclosed
EP-0191542-B1 ARYLCYCLOBUTYLALKYL AMINES AND THEIR USE AS ANTIDEPRESSIVE MEDICINES The Boots Company PLC (GB) 1988-06-08 EP disclosed
EP-0191542-A1 Arylcyclobutylalkyl amines and their use as antidepressive medicines The Boots Company PLC (GB) 1986-08-20 EP disclosed