SCHEMBL4803555

SCHEMBL4803555

Cn1cccc1C(=O)N(Cc1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAOB P27338 1/20 0.38
HTR1A P08908 2/20 0.38
DRD4 P21917 2/20 0.38
HTR2A P28223 2/20 0.38
SLC6A4 P31645 2/20 0.38
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 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
SCHEMBL4738708 0.91 ALDH1A1 (0.46) SMN1; SMN2KDM4EALDH1A1TSHRHTR1A
SCHEMBL4734880 0.89 MEN1 (0.37) ME2ME1ME3MAPTSMN1; SMN2
SCHEMBL4734210 0.88 HTR1A (0.47) ME2ME1ME3KDM4EALDH1A1
SCHEMBL4735156 0.80 KCNH2 (0.39) MAPTKDM4EALDH1A1TSHRLMNA
SCHEMBL4736795 0.79 CACNA1H (0.43) MAPTKDM4ELMNAL3MBTL1
SCHEMBL3830332 0.79 MEN1 (0.45) ME2ME1ME3MAPTSMN1; SMN2
SCHEMBL4737954 0.79 KDM4E (0.45) ME2ME1ME3SMN1; SMN2KDM4E
SCHEMBL4734783 0.79 OPRM1 (0.40) ME2ME1ME3MAPTSMN1; SMN2
SCHEMBL4738913 0.79 MAOB (0.40) ME2ME1ME3MAPTSMN1; SMN2
SCHEMBL4739792 0.78 LMNA (0.49) MAPTKDM4EALDH1A1TSHROPRM1

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