SCHEMBL9864232

SCHEMBL9864232

COCC(C)(O)CC(N)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.58
SLC6A3 Q01959 16/20 0.58
CYP3A4 P08684 2/20 0.54
ALOX15 P16050 2/20 0.54
TSHR P16473 2/20 0.54
TP53 P04637 1/20 0.54
SLC6A2 P23975 7/20 0.44
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
GRIN2D O15399 1/20 0.36

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
SCHEMBL9863950 0.90 SLC6A4 (0.61) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9864551 0.89 SLC6A4 (0.51) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9864575 0.88 SLC6A4 (0.56) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9864713 0.87 SLC6A3 (0.42) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9864068 0.87 SLC6A4 (0.58) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9863883 0.86 CYP3A4 (0.63) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL9864351 0.85 SLC6A4 (0.53) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL5668946 0.85 SLC6A4 (0.61) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL7049796 0.85 SLC6A4 (0.61) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL5661116 0.85 SLC6A4 (0.61) 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 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