SCHEMBL4733653

SCHEMBL4733653

CN1CCN(c2ccc(CN(C(=O)c3cccnc3Cl)c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DCTPP1 Q9H773 1/20 0.39
HTR1A P08908 3/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR7 P34969 3/20 0.39
DRD3 P35462 3/20 0.39
TMEM97 Q5BJF2 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
RAB9A P51151 1/20 0.39
SLC6A4 P31645 1/20 0.38
PDK1 Q15118 4/20 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
SCHEMBL3823632 0.87 L3MBTL1 (0.45) KDM4EALDH1A1TSHROPRM1OPRK1
SCHEMBL3827091 0.86 L3MBTL1 (0.44) KDM4EALDH1A1TSHROPRM1OPRK1
SCHEMBL3860025 0.86 L3MBTL1 (0.53) KDM4EALDH1A1TSHROPRM1OPRK1
SCHEMBL3830922 0.85 L3MBTL1 (0.43) KDM4EALDH1A1TSHROPRM1OPRK1
SCHEMBL4737954 0.84 KDM4E (0.45) KDM4EALDH1A1TSHROPRM1L3MBTL1
SCHEMBL4738239 0.84 TSHR (0.49) KDM4EALDH1A1TSHROPRM1OPRK1
SCHEMBL3825171 0.83 RAB9A (0.53) OPRM1OPRK1L3MBTL1HTR1ADRD2
SCHEMBL3830332 0.83 MEN1 (0.45) MAPTKDM4EALDH1A1TSHROPRM1
Hydrochloric Acid SCHEMBL3822406 0.83 RAB9A (0.52) OPRM1OPRK1L3MBTL1HTR1ADRD2
SCHEMBL3824125 0.83 L3MBTL1 (0.44) KDM4EOPRM1OPRK1L3MBTL1HTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed