SCHEMBL4755057

SCHEMBL4755057

Cc1nc(C2CC(C(F)(F)F)C2)n(-c2ccc(Cl)cc2)c(=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.41
DRD5 P21918 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.36
POLB P06746 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
GRM1 Q13255 2/20 0.35
KMT2A Q03164 2/20 0.35
GSR P00390 1/20 0.35
HPGD P15428 2/20 0.34
ALOX12 P18054 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.33
MAT2A P31153 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
MC4R P32245 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL13985519 1.00 DRD1 (0.41) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL4753376 0.91 DRD1 (0.41) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL4755752 0.91 DRD1 (0.41) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL4755753 0.91 DRD1 (0.41) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL13985303 0.88 DRD1 (0.39) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL4753741 0.88 DRD1 (0.39) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL4753340 0.83 DRD1 (0.39) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL13985230 0.83 DRD1 (0.39) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL4911234 0.82 DRD1 (0.42) DRD1DRD5SMN1; SMN2POLBGRM1
SCHEMBL4753362 0.81 SMN1; SMN2 (0.40) DRD1DRD5SMN1; SMN2POLBRAB9A

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
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO claimed
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed