SCHEMBL3830607

SCHEMBL3830607

CN1CCN(c2ccc(CN(C(=O)Oc3ccc(Cl)cc3)c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 17/20 0.46
RAB9A P51151 1/20 0.46
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR7 P34969 2/20 0.43
DRD3 P35462 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 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
SCHEMBL3830824 0.88 LMNA (0.47) TACR3RAB9AHTR1ADRD2DRD4
SCHEMBL3825171 0.86 RAB9A (0.53) RAB9AHTR1ADRD2DRD4HTR2A
SCHEMBL3826601 0.86 RAB9A (0.48) RAB9AHTR1ADRD2DRD4HTR2A
Hydrochloric Acid SCHEMBL3822406 0.85 RAB9A (0.52) RAB9AHTR1ADRD2DRD4HTR2A
SCHEMBL3828851 0.84 RAB9A (0.55) RAB9AHTR1ADRD2DRD4HTR2A
SCHEMBL3826479 0.83 RAB9A (0.47) RAB9AHTR1ADRD2DRD4HTR2A
SCHEMBL3826502 0.83 RAB9A (0.45) TACR3RAB9AHTR1ADRD2DRD4
SCHEMBL3830147 0.83 SIGMAR1 (0.50) RAB9AHTR1ADRD2DRD4HTR2A
Hydrochloric Acid SCHEMBL3823594 0.82 RAB9A (0.46) RAB9AHTR1ADRD2DRD4HTR2A
SCHEMBL3849984 0.82 RAB9A (0.53) 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 3 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
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed