SCHEMBL3824490

SCHEMBL3824490

CNC1CCN(c2ccc(CN(C(=O)c3ccc(Cl)cc3)c3ccc(F)cc3)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.47
KCNH2 Q12809 2/20 0.47
RAB9A P51151 1/20 0.43
CHIA Q9BZP6 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 1/20 0.41
MELK Q14680 3/20 0.41
MLNR O43193 1/20 0.40
PRKAA2 P54646 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40

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
SCHEMBL3831162 0.84 RAB9A (0.53) RAB9AHTR1ADRD2DRD4HTR2A
SCHEMBL3823684 0.84 KDM4E (0.45) RAB9ACHIAHTR1ADRD2DRD4
SCHEMBL3048291 0.84 KCNH2 (0.45) MCHR1KCNH2MELKPRKAA2CA12
SCHEMBL3825171 0.84 RAB9A (0.53) RAB9AHTR1ADRD2DRD4HTR2A
Hydrochloric Acid SCHEMBL3822406 0.83 RAB9A (0.52) RAB9AHTR1ADRD2DRD4HTR2A
SCHEMBL8170943 0.83 L3MBTL1 (0.43) RAB9ACHIAHTR1ADRD2DRD4
SCHEMBL3826499 0.82 HTR1A (0.46) RAB9AHTR1ADRD2DRD4HTR2A
SCHEMBL3826843 0.82 MAPKAPK2 (0.47) RAB9AHTR1ADRD2DRD4HTR2A
SCHEMBL3823664 0.82 MAPT (0.53) RAB9AHTR1ADRD2DRD4HTR2A
SCHEMBL3830908 0.82 HTR1A (0.45) RAB9AHTR1ADRD2DRD4HTR2A

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