SCHEMBL9863752

SCHEMBL9863752

CC(C)(O)CC(N)C1(c2ccc(-c3ccccc3)cc2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.55
SLC6A3 Q01959 11/20 0.55
SLC6A2 P23975 7/20 0.55
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
KIF11 P52732 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
SCHEMBL9864333 0.91 TP53 (0.42) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL9864455 0.86 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL5661116 0.83 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL5668946 0.83 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL7049796 0.83 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL9863736 0.83 TP53 (0.43) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL9863811 0.81 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL9864017 0.81 TP53 (0.42) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL9863748 0.79 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2TP53CYP3A4
Hydrochloric Acid SCHEMBL1778 0.77 SLC6A4 (0.57) 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