SCHEMBL9864284

SCHEMBL9864284

NC(CCCO)C1(c2ccc(Cl)c(Cl)c2)CCC1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.70
SLC6A3 Q01959 16/20 0.70
SLC6A2 P23975 10/20 0.60
TRPV3 Q8NET8 1/20 0.45
KCNH2 Q12809 4/20 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
Hydrochloric Acid SCHEMBL9864559 0.99 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2TRPV3KCNH2
SCHEMBL9863996 0.95 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2TRPV3KCNH2
SCHEMBL16516122 0.85 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2TRPV3KCNH2
SCHEMBL9863701 0.84 SLC6A4 (0.59) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL10840419 0.83 SLC6A4 (0.78) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL9864406 0.83 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL9863742 0.83 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL3521341 0.82 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
Hydrochloric Acid SCHEMBL2409 0.82 SLC6A4 (0.76) SLC6A4SLC6A3SLC6A2KCNH2CYP2D6
SCHEMBL9864728 0.81 SLC6A4 (0.70) 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