SCHEMBL4390004

SCHEMBL4390004

OC1(CCCc2cccc(F)c2F)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
SLC6A4 P31645 4/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 3/20 0.34
HTR1A P08908 2/20 0.34
GAA P10253 1/20 0.34
ROCK2 O75116 1/20 0.34
KCNH2 Q12809 2/20 0.33
HTR2C P28335 1/20 0.33
GPR4 P46093 1/20 0.33
GRIN2B Q13224 1/20 0.32
MPO P05164 3/20 0.32
OPRM1 P35372 2/20 0.32
TACR1 P25103 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
REN P00797 1/20 0.32
CXCR2 P25025 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL5495876 0.91 FFAR4 (0.38) FFAR4SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL5493818 0.86 FFAR4 (0.41) FFAR4SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL5499318 0.86 KCNH2 (0.33) FFAR4SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL5499100 0.84 KCNH2 (0.41) SLC6A4SLC6A2KCNH2HTR2CGPR4
SCHEMBL2785289 0.84 FFAR4 (0.43) FFAR4SLC6A4SLC6A2HTR2CTACR1
SCHEMBL5499016 0.81 KCNH2 (0.38) SLC6A4SLC6A2SLC6A3HTR1AKCNH2
SCHEMBL5502120 0.81 SLC6A2 (0.38) FFAR4SLC6A4SLC6A2SLC6A3ROCK2
SCHEMBL27618109 0.79 TAAR1 (0.43) SLC6A4SLC6A2SLC6A3HTR1AHTR2C
Hydrochloric Acid SCHEMBL1475155 0.78 TAAR1 (0.42) SLC6A4SLC6A2SLC6A3HTR1AHTR2C
SCHEMBL5501439 0.77 FFAR4 (0.40) FFAR4SLC6A4SLC6A2SLC6A3KCNH2

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 7 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 claimed
WO-2005121092-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO claimed
EP-1768958-B1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP disclosed
EP-1768958-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-04 EP disclosed
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
WO-2005121088-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed