SCHEMBL10837873

SCHEMBL10837873

COc1ccc(C2(C(C)N)CCC2)cc1

nearest known ligand 0.90

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.90
SLC6A3 Q01959 12/20 0.90
SLC6A2 P23975 5/20 0.62
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41

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
SCHEMBL3517955 0.95 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2GRIN1GRIN2A
SCHEMBL13755349 0.81 SLC6A4 (0.72) SLC6A4SLC6A3SLC6A2MAOBMAOA
SCHEMBL15065608 0.79 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL10623441 0.78 SLC6A4 (0.89) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL12235288 0.77 SLC6A3 (0.71) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL13755350 0.77 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2MAOBMAOA
SCHEMBL20194921 0.76 SLC6A4 (0.65) SLC6A4SLC6A3SLC6A2CYP3A4GRIN1
Hydrochloric Acid SCHEMBL2163 0.76 SLC6A3 (0.59) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL19388511 0.76 SLC6A4 (0.64) SLC6A4SLC6A3SLC6A2GRIN1GRIN2A
SCHEMBL3520894 0.76 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2

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-4629727-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1986-12-16 US disclosed
EP-0111994-B1 (1-ARYLCYCLOBUTYL) ALKYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS THERAPEUTIC AGENTS The Boots Company PLC (GB) 1986-02-26 EP disclosed
EP-0111994-A1 (1-Arylcyclobutyl) alkylamine derivatives, their preparation and their use as therapeutic agents The Boots Company PLC (GB) 1984-06-27 EP disclosed