SCHEMBL9864017

SCHEMBL9864017

CSc1ccc(C2(C(N)CC(C)(C)O)CCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A4 P31645 16/20 0.41
SLC6A3 Q01959 13/20 0.41
SLC6A2 P23975 7/20 0.38
MAOA P21397 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
SCHEMBL9863833 0.88 SLC6A4 (0.42) TP53CYP3A4ALOX15TSHRSLC6A4
SCHEMBL5661116 0.83 SLC6A4 (0.61) TP53CYP3A4ALOX15TSHRSLC6A4
SCHEMBL5668946 0.83 SLC6A4 (0.61) TP53CYP3A4ALOX15TSHRSLC6A4
SCHEMBL7049796 0.83 SLC6A4 (0.61) TP53CYP3A4ALOX15TSHRSLC6A4
SCHEMBL9863736 0.83 TP53 (0.43) TP53CYP3A4ALOX15TSHRSLC6A4
SCHEMBL9864333 0.82 TP53 (0.42) TP53CYP3A4ALOX15TSHRSLC6A4
SCHEMBL9863811 0.81 SLC6A4 (0.55) TP53CYP3A4ALOX15TSHRSLC6A4
SCHEMBL9863752 0.81 SLC6A4 (0.55) TP53CYP3A4ALOX15TSHRSLC6A4
SCHEMBL15066049 0.78 CYP3A4 (0.67) TP53CYP3A4ALOX15TSHRSLC6A4
Maleic Acid SCHEMBL9864047 0.75 SLC6A4 (0.51) TP53CYP3A4ALOX15TSHRSLC6A4

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