SCHEMBL9864684

SCHEMBL9864684

CCC(O)(CC)CC(N)C1(c2ccc(OC)cc2)CCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.52
SLC6A3 Q01959 11/20 0.52
SLC6A2 P23975 3/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BACE1 P56817 1/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9863811 0.86 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL9864044 0.84 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL9864477 0.84 SLC6A3 (0.44) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL9863893 0.83 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL9864455 0.82 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL9864575 0.81 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL9864295 0.78 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL9864351 0.77 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL9864235 0.77 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL9864308 0.77 SLC6A3 (0.39) SLC6A4SLC6A3SLC6A2TP53CYP3A4

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