SCHEMBL5495685

SCHEMBL5495685

OC1(CCc2ccc(F)c(F)c2)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
DAO P14920 3/20 0.37
HTR6 P50406 2/20 0.36
KCNH2 Q12809 3/20 0.35
GPR4 P46093 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
MLNR O43193 1/20 0.34
CYP2D6 P10635 1/20 0.34
REN P00797 2/20 0.34
MCHR1 Q99705 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL5500050 0.91 KCNH2 (0.43) DPP4DAOHTR6KCNH2GPR4
Hydrochloric Acid SCHEMBL7983042 0.90 KCNH2 (0.42) DPP4DAOHTR6KCNH2GPR4
SCHEMBL5500258 0.87 SIGMAR1 (0.38) KCNH2CYP2D6RENDRD2
SCHEMBL5240121 0.84 GRIN2B (0.41) DPP4DAOHTR6ALDH1A1HTT
SCHEMBL14790650 0.83 KDM1A (0.38) DPP4DAOMCHR1
Hydrochloric Acid SCHEMBL14840786 0.83 GRIN2B (0.40) DPP4DAOHTR6ALDH1A1HTT
Hydrochloric Acid SCHEMBL14782698 0.82 KDM1A (0.37) DPP4DAOMCHR1
Hydrochloric Acid SCHEMBL14783269 0.82 KDM1A (0.37) DPP4DAOMCHR1
SCHEMBL5237164 0.82 OPRM1 (0.39) KCNH2GPR4ALDH1A1OPRM1OPRL1
SCHEMBL5505313 0.81 KCNH2 (0.33) HTR6KCNH2GPR4

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