SCHEMBL9864574

SCHEMBL9864574

CCC(=O)C(N(C)CCO)C1(c2ccc(Cl)c(Cl)c2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 18/20 0.49
SLC6A4 P31645 18/20 0.49
SLC6A2 P23975 15/20 0.47
KCNH2 Q12809 3/20 0.46

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
SCHEMBL9864123 0.87 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL9864259 0.83 CHRM2 (0.45) SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL9863839 0.80 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL9864639 0.80 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL9863943 0.78 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL27283870 0.78 SLC6A3 (0.55) SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL9864132 0.76 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL9863972 0.75 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL9864421 0.75 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL9864680 0.74 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2KCNH2

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 3 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-A1 Arylcyclobutylalkyl amines and their use as antidepressive medicines The Boots Company PLC (GB) 1986-08-20 EP disclosed