SCHEMBL3826982

SCHEMBL3826982

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
KMT2A Q03164 1/20 0.44
ME2 P23368 2/20 0.43
ME1 P48163 2/20 0.43
ME3 Q16798 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2C P28335 3/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
DRD3 P35462 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPKAPK2 P49137 1/20 0.40
LMNA P02545 1/20 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
SCHEMBL3826950 0.96 RAB9A (0.51) RAB9AKMT2AME2ME1ME3
SCHEMBL3822411 0.96 RAB9A (0.51) RAB9AKMT2AME2ME1ME3
SCHEMBL3825171 0.95 RAB9A (0.53) RAB9AKMT2AME2ME1ME3
SCHEMBL3822555 0.95 RAB9A (0.52) RAB9AKMT2AME2ME1ME3
Hydrochloric Acid SCHEMBL3822406 0.94 RAB9A (0.52) RAB9AKMT2AME2ME1ME3
SCHEMBL3830147 0.92 SIGMAR1 (0.50) RAB9AKMT2AHTR2CHTR1ADRD2
SCHEMBL3828031 0.91 RAB9A (0.50) RAB9AKMT2AME2ME1ME3
SCHEMBL3830730 0.89 RAB9A (0.48) RAB9AKMT2AME2ME1ME3
SCHEMBL3824268 0.88 RAB9A (0.51) RAB9AKMT2AME2ME1ME3
SCHEMBL3825200 0.86 HTR2C (0.48) RAB9AKMT2AME2ME1ME3

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