SCHEMBL9864169

SCHEMBL9864169

COCCCC(N)C1(c2ccc(C)cc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.44
SLC6A3 Q01959 13/20 0.44
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 6/20 0.37
LMNA P02545 1/20 0.33
HSD11B1 P28845 1/20 0.31

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
SCHEMBL9864204 0.87 SLC6A4 (0.43) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9863885 0.87 SLC6A4 (0.58) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9864001 0.83 SLC6A4 (0.57) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9863742 0.81 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2
SCHEMBL9863984 0.80 SLC6A4 (0.53) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9864086 0.80 SLC6A4 (0.54) SLC6A4SLC6A3CYP3A4SLC6A2
SCHEMBL9864728 0.77 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2
SCHEMBL9864271 0.75 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL9864419 0.75 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2
SCHEMBL12235320 0.74 CYP3A4 (0.72) SLC6A4SLC6A3TP53CYP3A4ALOX15

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