SCHEMBL9864213

SCHEMBL9864213

CC(C)(O)CC(N)C1(c2cccc(C(F)(F)F)c2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.47
KCNN4 O15554 2/20 0.45
SLC6A3 Q01959 2/20 0.44
SLC6A2 P23975 2/20 0.44
KDM1A O60341 2/20 0.42
CCR2 P41597 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
OPRL1 P41146 6/20 0.39
OPRM1 P35372 4/20 0.39
OPRK1 P41145 3/20 0.39
OPRD1 P41143 2/20 0.38
KIF11 P52732 1/20 0.38

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
SCHEMBL9863981 0.85 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2KDM1AHTR2A
SCHEMBL9864482 0.82 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2CCR2HTR2A
SCHEMBL9864333 0.81 TP53 (0.42) SLC6A4SLC6A3SLC6A2OPRM1
Hydrochloric Acid SCHEMBL1521 0.81 SLC6A4 (0.48) SLC6A4KCNN4SLC6A3SLC6A2KDM1A
SCHEMBL9864271 0.77 SLC6A4 (0.44) SLC6A4KCNN4SLC6A3SLC6A2KDM1A
SCHEMBL9864057 0.76 SLC6A4 (0.43) SLC6A4KCNN4SLC6A3SLC6A2KDM1A
SCHEMBL9863736 0.76 TP53 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL9864291 0.75 SLC6A4 (0.43) SLC6A4KCNN4SLC6A3SLC6A2KDM1A
SCHEMBL9864006 0.75 SLC6A4 (0.43) SLC6A4KCNN4SLC6A3SLC6A2KDM1A
SCHEMBL9864282 0.74 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2KDM1AHTR2A

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