SCHEMBL9864222

SCHEMBL9864222

CCCC(=O)C(N(C)C)C1(c2ccc(OC)cc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.44
SLC6A3 Q01959 12/20 0.44
SLC6A2 P23975 8/20 0.43
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ALDH1A1 P00352 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
LMNA P02545 1/20 0.36
CNR1 P21554 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL9864346 0.90 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2CHRM2CHRM1
SCHEMBL9863865 0.86 SLC6A3 (0.38) SLC6A4SLC6A3SLC6A2CHRM2ALDH1A1
SCHEMBL9864499 0.85 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2CHRM2ALDH1A1
SCHEMBL9863936 0.84 OPRM1 (0.43) SLC6A4SLC6A3SLC6A2CHRM2OPRM1
SCHEMBL9864358 0.82 SLC6A2 (0.44) SLC6A4SLC6A3SLC6A2CHRM2ALDH1A1
SCHEMBL9863726 0.81 SLC6A3 (0.53) SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL10640769 0.79 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2ALDH1A1LMNA
SCHEMBL9864254 0.78 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2CHRM2ALDH1A1
SCHEMBL9864011 0.77 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2CHRM2ALDH1A1
SCHEMBL9864207 0.76 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2CHRM2ALDH1A1

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