SCHEMBL9863748

SCHEMBL9863748

CCC(C)(O)CC(N)C1(c2ccccc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.42
SLC6A3 Q01959 8/20 0.42
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SLC6A2 P23975 3/20 0.39
OPRM1 P35372 2/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
GRIN1 Q05586 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL9863893 0.87 SLC6A4 (0.43) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9864333 0.87 TP53 (0.42) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9864286 0.86 SLC6A3 (0.43) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9863950 0.86 SLC6A4 (0.61) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9864296 0.84 SLC6A4 (0.45) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9864282 0.84 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL9863833 0.84 SLC6A4 (0.42) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL9864669 0.83 TP53 (0.36) SLC6A4SLC6A3TP53CYP3A4ALOX15
Maleic Acid SCHEMBL9863998 0.81 SLC6A4 (0.51) SLC6A4SLC6A3TP53CYP3A4ALOX15
Fumaric Acid SCHEMBL9864009 0.81 SLC6A4 (0.51) SLC6A4SLC6A3TP53CYP3A4ALOX15

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