SCHEMBL6765644

SCHEMBL6765644

Oc1cccc(C(O)(CCN2CCCNCC2)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.60
CHRM1 P11229 4/20 0.60
CYP2D6 P10635 3/20 0.60
HTR1A P08908 2/20 0.60
OPRM1 P35372 2/20 0.60
KCNH2 Q12809 2/20 0.60
LMNA P02545 2/20 0.60
CHRM4 P08173 4/20 0.59
CHRM5 P08912 4/20 0.59
CHRM3 P20309 4/20 0.59
CCR2 P41597 13/20 0.58
MAPK1 P28482 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 1/20 0.51
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51
HTR2A P28223 1/20 0.51
DRD3 P35462 1/20 0.51
SCN1A P35498 1/20 0.51

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
SCHEMBL6765682 0.90 CHRM2 (0.74) CHRM2CHRM1CYP2D6HTR1AOPRM1
SCHEMBL6765350 0.78 CCR2 (0.63) CHRM2CHRM1CYP2D6HTR1AOPRM1
Pridinol SCHEMBL143298 0.77 CHRM2 (1.00) CHRM2CHRM1CYP2D6HTR1AOPRM1
Pridinol SCHEMBL363996 0.75 CHRM2 (0.97) CHRM2CHRM1CYP2D6HTR1AOPRM1
Pridinol SCHEMBL29250415 0.75 CHRM2 (0.97) CHRM2CHRM1CYP2D6HTR1AOPRM1
Pridinol SCHEMBL27496509 0.75 CHRM2 (0.97) CHRM2CHRM1CYP2D6HTR1AOPRM1
SCHEMBL6770017 0.74 CCR2 (0.58) CHRM2CHRM1CYP2D6HTR1AOPRM1
SCHEMBL6766119 0.74 OPRM1 (0.48) CYP2D6OPRM1CCR2DRD2DRD3
SCHEMBL5497586 0.71 CYP2D6 (0.85) CHRM2CHRM1CYP2D6HTR1AOPRM1
SCHEMBL8565197 0.71 CCR2 (0.42) CHRM2CHRM1CYP2D6HTR1AOPRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686353-B1 PREVENTING BLOOD MONOCYTES AND LYMPHOCYTES FROM INFILTRATING TISSUE TEIJIN INTELLECTUAL PROPERTY CENTER LIMITED (JP) 2004-02-03 US disclosed
EP-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 EP disclosed
EP-0914319-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1999-05-12 EP disclosed
WO-1997044329-A9 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS 1998-03-12 WO disclosed
WO-1997044329-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1997-11-27 WO disclosed