SCHEMBL3822943

SCHEMBL3822943

Cc1cc(F)ccc1N(Cc1ccc(N2CCN(C)CC2)nc1)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
TMEM97 Q5BJF2 4/20 0.44
SIGMAR1 Q99720 4/20 0.44
HTR1A P08908 3/20 0.44
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR7 P34969 3/20 0.44
DRD3 P35462 3/20 0.44
EPHX2 P34913 3/20 0.42
SLC6A4 P31645 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
TDO2 P48775 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MELK Q14680 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL3829704 0.87 KMT2A (0.49) RAB9ATMEM97SIGMAR1HTR1ADRD2
SCHEMBL3825171 0.86 RAB9A (0.53) RAB9ATMEM97SIGMAR1HTR1ADRD2
Hydrochloric Acid SCHEMBL3822406 0.85 RAB9A (0.52) RAB9ATMEM97SIGMAR1HTR1ADRD2
SCHEMBL3058928 0.84 PPARG (0.42) RAB9AHTR1ADRD2DRD4HTR2A
SCHEMBL3824268 0.83 RAB9A (0.51) RAB9ATMEM97SIGMAR1HTR1ADRD2
SCHEMBL3830147 0.83 SIGMAR1 (0.50) RAB9ATMEM97SIGMAR1HTR1ADRD2
SCHEMBL3826982 0.83 RAB9A (0.54) RAB9ATMEM97SIGMAR1HTR1ADRD2
SCHEMBL3828031 0.83 RAB9A (0.50) RAB9ATMEM97SIGMAR1HTR1ADRD2
SCHEMBL3822411 0.82 RAB9A (0.51) RAB9ATMEM97SIGMAR1HTR1ADRD2
SCHEMBL3826950 0.82 RAB9A (0.51) RAB9ATMEM97SIGMAR1HTR1ADRD2

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