SCHEMBL9864271

SCHEMBL9864271

COCCCC(N)C1(c2cccc(C(F)(F)F)c2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.44
SLC6A3 Q01959 5/20 0.42
SLC6A2 P23975 2/20 0.42
KCNN4 O15554 2/20 0.40
KDM1A O60341 2/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
OPRM1 P35372 3/20 0.36
OPRL1 P41146 2/20 0.36
OPRD1 P41143 1/20 0.36
CCR2 P41597 1/20 0.36
GRIN2B Q13224 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL9864291 0.89 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2KCNN4KDM1A
SCHEMBL9864006 0.88 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2KCNN4KDM1A
SCHEMBL9864324 0.84 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2KCNN4KDM1A
Hydrochloric Acid SCHEMBL1521 0.83 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2KCNN4KDM1A
SCHEMBL9864057 0.83 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2KCNN4KDM1A
SCHEMBL9864213 0.77 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2KCNN4KDM1A
SCHEMBL9864086 0.77 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2
SCHEMBL9863742 0.76 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2
SCHEMBL9864169 0.75 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL9863885 0.74 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2HTR2AHTR2B

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