SCHEMBL3823664

SCHEMBL3823664

O=C(c1ccc(Cl)cc1)N(Cc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
HTR1A P08908 2/20 0.45
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR7 P34969 2/20 0.45
DRD3 P35462 2/20 0.45
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL3830820 0.94 DRD2 (0.52) MAPTSMN1; SMN2LMNAHTTHTR1A
SCHEMBL3831162 0.91 RAB9A (0.53) MAPTSMN1; SMN2LMNAHTTKCNQ3
SCHEMBL8178883 0.90 MAPT (0.53) MAPTSMN1; SMN2KCNQ3KCNQ2HTR1A
SCHEMBL3825171 0.89 RAB9A (0.53) SMN1; SMN2HTR1ADRD2DRD4HTR2A
SCHEMBL3830908 0.89 HTR1A (0.45) MAPTSMN1; SMN2LMNAHTTHTR1A
SCHEMBL3826843 0.89 MAPKAPK2 (0.47) HTR1ADRD2DRD4HTR2AHTR2C
Hydrochloric Acid SCHEMBL3822406 0.88 RAB9A (0.52) SMN1; SMN2HTR1ADRD2DRD4HTR2A
SCHEMBL3822812 0.88 HTR1A (0.44) MAPTSMN1; SMN2LMNAHTTHTR1A
SCHEMBL3826499 0.87 HTR1A (0.46) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL3826319 0.87 DRD4 (0.47) SMN1; SMN2LMNAHTR1ADRD2DRD4

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-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed