SCHEMBL13625573

SCHEMBL13625573

CCCCNOCc1cc2c3c(c1)C(c1cccc(F)c1)CCN3CCC2c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
F10 P00742 3/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
BPTF Q12830 1/20 0.32
KCNQ2 O43526 1/20 0.32
GRM2 Q14416 1/20 0.32
DRD4 P21917 1/20 0.32
HTR2C P28335 1/20 0.31
F2 P00734 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL8989632 0.78 NPC1 (0.41) CNR1CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL2392906 0.78 SMN1; SMN2 (0.45) CNR1CNR2KCNQ2DRD4HTR2C
SCHEMBL1411567 0.76 RAB9A (0.44) KDM4EUBE2MDCUN1D1KCNQ2DRD4
SCHEMBL8990113 0.75 DRD4 (0.43) CNR1CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL8989648 0.74 MEN1 (0.43) CNR1CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL17054715 0.73 DRD4 (0.35) KDM4EFFAR4SLC6A2SLC6A4SLC6A3
SCHEMBL1411897 0.73 HPGD (0.43) FFAR4KCNQ2DRD4
SCHEMBL12259689 0.73 KMT2A (0.37)
SCHEMBL1411444 0.73 DRD4 (0.42) KDM4EKCNQ2DRD4
SCHEMBL8988301 0.72 KMT2A (0.44)

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-2009137681-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-IJ] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 WO disclosed