SCHEMBL10679608

SCHEMBL10679608

O=C1NCCC(c2ccc(C(F)(F)F)cc2)C1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.50
SLC6A2 P23975 5/20 0.44
HTR2C P28335 3/20 0.43
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
SLC6A4 P31645 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 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
SCHEMBL10679614 1.00 SLC6A3 (0.50) SLC6A3SLC6A2HTR2CSLC6A9SLC6A5
SCHEMBL10876719 1.00 SLC6A3 (0.50) SLC6A3SLC6A2HTR2CSLC6A9SLC6A5
SCHEMBL10679597 1.00 SLC6A3 (0.50) SLC6A3SLC6A2HTR2CSLC6A9SLC6A5
SCHEMBL10671944 0.88 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4MAOAMAOB
SCHEMBL11089310 0.85 SLC6A3 (0.68) SLC6A3SLC6A2SLC6A4PARP1PARP2
SCHEMBL10678658 0.82 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4KMT2A
SCHEMBL10671226 0.82 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4
SCHEMBL10682722 0.82 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL10672420 0.82 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4
SCHEMBL10682710 0.82 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4785007-A ANTIDEPRESSANTS, P LABORATOIRES HOECHST S.A. (FR) 1988-11-15 US disclosed
EP-0203308-A2 2,3- Or 3,4-diphenyl-gamma-nitrile-ester derivatives for the treatment of kidney insufficiency, and their ring-closure products as psychostimulating and antidepressive medicaments LABORATOIRES HOECHST S.A. (FR) 1986-12-03 EP disclosed