SCHEMBL9864152

SCHEMBL9864152

CCC(O)C(N(C)C)C1(c2ccc3ccccc3c2)CCC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.56
SLC6A3 Q01959 19/20 0.56
SLC6A2 P23975 8/20 0.56
KCNH2 Q12809 2/20 0.56

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
SCHEMBL9864344 0.80 SLC6A3 (0.40) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL9864248 0.79 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL9864262 0.79 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2KCNH2
Hydrochloric Acid SCHEMBL9864430 0.77 CYP3A4 (0.56) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL9864359 0.77 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2
SCHEMBL9863999 0.76 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL9863726 0.74 SLC6A3 (0.53) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL3521068 0.72 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2KCNH2
Hydrochloric Acid SCHEMBL2293 0.69 SLC6A4 (0.59) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL9864205 0.69 SLC6A3 (0.38) SLC6A4SLC6A3SLC6A2KCNH2

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