SCHEMBL3830824

SCHEMBL3830824

CN1CCN(c2ccc(CN(C(=O)COc3ccc(Cl)cc3)c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.45
PLA2G7 Q13093 1/20 0.43
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
HTR2A P28223 4/20 0.43
HTR2C P28335 4/20 0.43
HTR1A P08908 3/20 0.43
DRD4 P21917 3/20 0.43
HTR7 P34969 3/20 0.43
TMEM97 Q5BJF2 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
NPC1 O15118 1/20 0.42
CCR1 P32246 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL8185381 0.92 DRD2 (0.48) RAB9ADRD2DRD3HTR2AHTR2C
SCHEMBL3826601 0.89 RAB9A (0.48) RAB9APLA2G7DRD2DRD3HTR2A
SCHEMBL3830607 0.88 TACR3 (0.46) RAB9ADRD2DRD3HTR2AHTR2C
SCHEMBL3825171 0.85 RAB9A (0.53) RAB9APLA2G7DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL3822406 0.84 RAB9A (0.52) RAB9APLA2G7DRD2DRD3HTR2A
SCHEMBL3828851 0.83 RAB9A (0.55) LMNARAB9ADRD2DRD3HTR2A
SCHEMBL3830147 0.82 SIGMAR1 (0.50) RAB9APLA2G7DRD2DRD3HTR2A
SCHEMBL3826479 0.82 RAB9A (0.47) RAB9APLA2G7DRD2DRD3HTR2A
SCHEMBL3826502 0.82 RAB9A (0.45) RAB9APLA2G7DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL3823594 0.81 RAB9A (0.46) RAB9APLA2G7DRD2DRD3HTR2A

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