SCHEMBL4751758

SCHEMBL4751758

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2ccccc2C#N)CN(CC(=O)N(C)C)C[C@H]1C(=O)c1ccccc1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.35
HSD11B1 P28845 1/20 0.35
GAA P10253 1/20 0.35
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
EED O75530 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
GRIN2B Q13224 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 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
SCHEMBL4751756 1.00 DRD4 (0.35) DRD4HSD11B1GAAHCRTR1HCRTR2
SCHEMBL4019770 0.95 EED (0.33) DRD4HSD11B1GAAHCRTR1HCRTR2
SCHEMBL4019773 0.95 EED (0.33) DRD4HSD11B1GAAHCRTR1HCRTR2
SCHEMBL4019242 0.87 KMT2A (0.34) DRD4HCRTR1HCRTR2EEDKMT2A
SCHEMBL4024341 0.87 KMT2A (0.34) DRD4HCRTR1HCRTR2EEDKMT2A
SCHEMBL4022107 0.86 EED (0.36) DRD4HCRTR1HCRTR2EEDKMT2A
SCHEMBL4024177 0.86 EED (0.36) DRD4HCRTR1HCRTR2EEDKMT2A
SCHEMBL4779152 0.85 PROKR1 (0.35) DRD4HCRTR1HCRTR2EEDKMT2A
SCHEMBL4779147 0.85 PROKR1 (0.35) DRD4HCRTR1HCRTR2EEDKMT2A
SCHEMBL4020606 0.85 KDM2B (0.40) GAAKMT2AMEN1ALDH1A1GRIN2B

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-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed