SCHEMBL9864405

SCHEMBL9864405

COCCCC(NCC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.69
SLC6A3 Q01959 18/20 0.69
SLC6A2 P23975 17/20 0.69
KCNH2 Q12809 2/20 0.45
CYP2D6 P10635 1/20 0.44

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
SCHEMBL9863951 0.89 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL9864228 0.87 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL9864289 0.85 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL9863776 0.84 SLC6A4 (0.59) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL15422677 0.81 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL15422779 0.81 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL15422684 0.80 SLC6A3 (0.85) SLC6A4SLC6A3SLC6A2
SCHEMBL15422503 0.80 SLC6A3 (0.85) SLC6A4SLC6A3SLC6A2
SCHEMBL9863742 0.79 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL9864378 0.77 SLC6A3 (0.62) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6

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