SCHEMBL5500263

SCHEMBL5500263

OC1(CCCc2ccc(Cl)c(F)c2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
GPR4 P46093 1/20 0.41
SIGMAR1 Q99720 2/20 0.37
REN P00797 3/20 0.36
TACR1 P25103 1/20 0.36
SLC6A2 P23975 6/20 0.34
SLC6A4 P31645 6/20 0.34
IGF1R P08069 1/20 0.34
ALOX15 P16050 1/20 0.34
SLC6A3 Q01959 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
CYP2D6 P10635 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
SCHEMBL5500258 0.92 SIGMAR1 (0.38) KCNH2SIGMAR1RENSLC6A2SLC6A4
SCHEMBL5502520 0.89 KCNH2 (0.41) KCNH2GPR4SIGMAR1RENTACR1
SCHEMBL5500050 0.87 KCNH2 (0.43) KCNH2GPR4RENTACR1OPRM1
SCHEMBL5499307 0.87 SIGMAR1 (0.49) KCNH2GPR4SIGMAR1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7983042 0.86 KCNH2 (0.42) KCNH2GPR4RENTACR1OPRM1
SCHEMBL5498980 0.83 GPR84 (0.46) KCNH2GPR4TACR1SLC6A2SLC6A4
SCHEMBL17186727 0.83 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL5495230 0.80 EPHX1 (0.39) KCNH2GPR4SIGMAR1RENTACR1
SCHEMBL7495125 0.80 GPR4 (0.39) KCNH2GPR4TACR1OPRM1OPRD1
SCHEMBL7498985 0.80 GPR4 (0.45) KCNH2GPR4TACR1SLC6A2SLC6A4

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