SCHEMBL5498980

SCHEMBL5498980

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
OPRM1 P35372 5/20 0.43
OPRK1 P41145 3/20 0.43
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
HRH2 P25021 2/20 0.43
HTR1D P28221 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR7 P34969 2/20 0.43
HRH1 P35367 1/20 0.43
IDO1 P14902 2/20 0.42
OPRL1 P41146 4/20 0.41
TACR1 P25103 1/20 0.41
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
GPR4 P46093 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL5499921 0.92 IDO1 (0.43) GPR84OPRM1OPRK1HTR1ADRD2
SCHEMBL7428659 0.86 TACR1 (0.42) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL5499307 0.84 SIGMAR1 (0.49) SLC6A4SLC6A2GPR4KCNH2
SCHEMBL5500263 0.83 KCNH2 (0.41) OPRM1OPRK1OPRL1TACR1SLC6A4
SCHEMBL5495230 0.82 EPHX1 (0.39) TACR1GPR4KCNH2
SCHEMBL5502520 0.81 KCNH2 (0.41) DRD2TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL7426590 0.78 SLC6A2 (0.44) OPRM1OPRL1TACR1SLC6A4SLC6A2
SCHEMBL5500050 0.76 KCNH2 (0.43) OPRM1OPRK1OPRL1TACR1GPR4
SCHEMBL5499282 0.76 SIGMAR1 (0.51) SLC6A4SLC6A2
SCHEMBL5500092 0.75 FFAR4 (0.43) TACR1SLC6A4SLC6A2KCNH2P2RX7

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