SCHEMBL3830147

SCHEMBL3830147

CN1CCCN(c2ccc(CN(C(=O)c3ccc(Cl)cc3)c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.50
TMEM97 Q5BJF2 5/20 0.50
HTR1A P08908 4/20 0.50
DRD2 P14416 4/20 0.50
DRD4 P21917 4/20 0.50
HTR2A P28223 4/20 0.50
HTR2C P28335 4/20 0.50
HTR7 P34969 4/20 0.50
DRD3 P35462 4/20 0.50
SLC6A4 P31645 2/20 0.50
RAB9A P51151 2/20 0.49
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
PDK1 Q15118 1/20 0.42
KMT2A Q03164 1/20 0.41
BCL2A1 Q16548 1/20 0.40
MAPK8 P45983 1/20 0.40
HDAC10 Q969S8 1/20 0.40
PLA2G7 Q13093 1/20 0.40
CACNA1H O95180 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
SCHEMBL3825171 0.96 RAB9A (0.53) SIGMAR1TMEM97HTR1ADRD2DRD4
Hydrochloric Acid SCHEMBL3822406 0.95 RAB9A (0.52) SIGMAR1TMEM97HTR1ADRD2DRD4
SCHEMBL8185382 0.92 RAB9A (0.48) SIGMAR1TMEM97HTR1ADRD2DRD4
SCHEMBL3831162 0.92 RAB9A (0.53) SIGMAR1TMEM97HTR1ADRD2DRD4
SCHEMBL3826982 0.92 RAB9A (0.54) SIGMAR1TMEM97HTR1ADRD2DRD4
SCHEMBL3826950 0.88 RAB9A (0.51) SIGMAR1TMEM97HTR1ADRD2DRD4
SCHEMBL3822411 0.88 RAB9A (0.51) SIGMAR1TMEM97HTR1ADRD2DRD4
SCHEMBL3823112 0.88 RAB9A (0.52) SIGMAR1TMEM97HTR1ADRD2DRD4
SCHEMBL3826499 0.87 HTR1A (0.46) SIGMAR1TMEM97HTR1ADRD2DRD4
SCHEMBL3826601 0.87 RAB9A (0.48) SIGMAR1TMEM97HTR1ADRD2DRD4

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