SCHEMBL9864368

SCHEMBL9864368

CN(C)C(CCCOCC(=O)N1CCOCC1)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.43
KDM4E B2RXH2 2/20 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
SCHEMBL9863600 0.83 SLC6A3 (0.53) CHRM2ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL9864201 0.83 SLC6A2 (0.41) CHRM2ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL9864080 0.82 SLC6A3 (0.52) CHRM2ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL9864745 0.80 SLC6A3 (0.49) CHRM2ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL10638688 0.79 SLC6A3 (0.51) CHRM2ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL9863842 0.78 SLC6A3 (0.59) CHRM2ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL9864683 0.77 SLC6A3 (0.57) CHRM2ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL9864016 0.76 SLC6A3 (0.57) CHRM2ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL9863852 0.75 SLC6A3 (0.64) CHRM2ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL9863980 0.75 SLC6A3 (0.55) CHRM2ADRA2AADRA2BADRA2CSLC6A2

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