SCHEMBL5501040

SCHEMBL5501040

OC1(CCCc2cccc(C(F)(F)F)c2F)CCN(CCN2CCC(O)(c3cccc(C(F)(F)F)c3F)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
FFAR4 Q5NUL3 1/20 0.37
DRD2 P14416 6/20 0.37
OPRM1 P35372 6/20 0.37
OPRK1 P41145 5/20 0.37
HTR1A P08908 4/20 0.37
DRD4 P21917 4/20 0.37
HRH2 P25021 4/20 0.37
HTR1D P28221 4/20 0.37
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
HTR7 P34969 4/20 0.37
HRH1 P35367 3/20 0.37
CCR1 P32246 1/20 0.36
OPRD1 P41143 4/20 0.35
DRD1 P21728 3/20 0.35
DRD5 P21918 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35

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
SCHEMBL5499046 0.84 CCR1 (0.38) DRD2HTR1AHTR2AHTR7HRH1
SCHEMBL3853355 0.80 DRD2 (0.43) FPR3FPR2DRD2OPRM1OPRK1
SCHEMBL3851753 0.79 UBE2M (0.45) DRD2OPRM1OPRK1HTR1ADRD4
SCHEMBL2783423 0.79 LMNA (0.44) DRD2OPRM1OPRK1HTR1ADRD4
SCHEMBL3853965 0.79 OPRM1 (0.43) DRD2OPRM1OPRK1HTR1ADRD4
SCHEMBL2785289 0.76 FFAR4 (0.43) FPR3FPR2FFAR4HTR2CSLC6A2
SCHEMBL3772165 0.76 OPRL1 (0.39) DRD2OPRM1OPRK1CCR1OPRD1
SCHEMBL3853446 0.76 DRD2 (0.42) DRD2OPRM1OPRK1HTR1ADRD4
SCHEMBL3769750 0.74 OPRD1 (0.38) OPRM1OPRK1OPRD1CYP3A4CYP2D6
SCHEMBL2783267 0.69 NOTUM (0.41) FFAR4OPRM1OPRK1OPRD1P2RX7

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