SCHEMBL5494489

SCHEMBL5494489

OC1(CCc2cccc(OC(F)F)c2F)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 7/20 0.40
KCNH2 Q12809 6/20 0.40
SLC6A3 Q01959 5/20 0.40
CYP2D6 P10635 2/20 0.39
SIGMAR1 Q99720 1/20 0.33
REN P00797 1/20 0.32
HTR1A P08908 2/20 0.32
TACR1 P25103 1/20 0.31
USP2 O75604 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
HTR2A P28223 1/20 0.30
NR1I2 O75469 1/20 0.30

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
SCHEMBL5499016 0.93 KCNH2 (0.38) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL5501435 0.86 KCNH2 (0.38) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL5495876 0.80 FFAR4 (0.38) SLC6A2SLC6A4SLC6A3SIGMAR1REN
SCHEMBL5498188 0.80 HTR1A (0.48) SLC6A2SLC6A4SLC6A3HTR1ATACR1
SCHEMBL5495138 0.80 KCNH2 (0.37) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL5501439 0.78 FFAR4 (0.40) SLC6A2SLC6A4KCNH2SLC6A3REN
SCHEMBL5502120 0.76 SLC6A2 (0.38) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL5499363 0.75 TACR1 (0.43) SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL5505313 0.75 KCNH2 (0.33) SLC6A2SLC6A4KCNH2SLC6A3SIGMAR1
SCHEMBL27618109 0.74 TAAR1 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6HTR1A

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
EP-1765779-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-03-28 EP disclosed
WO-2005121092-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed