SCHEMBL9864308

SCHEMBL9864308

CCOCC(O)(CC)CC(N)C1(c2ccc(F)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.39
SLC6A4 P31645 10/20 0.39
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 5/20 0.33
NR1I2 O75469 1/20 0.32
RORC P51449 1/20 0.32
OPRM1 P35372 1/20 0.31

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
SCHEMBL9864477 0.89 SLC6A3 (0.44) SLC6A3SLC6A4TP53CYP3A4ALOX15
SCHEMBL9864235 0.88 SLC6A4 (0.53) SLC6A3SLC6A4TP53CYP3A4ALOX15
SCHEMBL9864713 0.81 SLC6A3 (0.42) SLC6A3SLC6A4TP53CYP3A4ALOX15
SCHEMBL9864286 0.80 SLC6A3 (0.43) SLC6A3SLC6A4TP53CYP3A4ALOX15
SCHEMBL10900716 0.80 SLC6A3 (0.41) SLC6A3SLC6A4TP53CYP3A4ALOX15
SCHEMBL9864575 0.79 SLC6A4 (0.56) SLC6A3SLC6A4TP53CYP3A4ALOX15
SCHEMBL9863736 0.79 TP53 (0.43) SLC6A3SLC6A4TP53CYP3A4ALOX15
SCHEMBL9864684 0.77 SLC6A4 (0.52) SLC6A3SLC6A4TP53CYP3A4ALOX15
SCHEMBL9864044 0.76 SLC6A4 (0.62) SLC6A3SLC6A4TP53CYP3A4ALOX15
SCHEMBL9863893 0.76 SLC6A4 (0.43) SLC6A3SLC6A4TP53CYP3A4ALOX15

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