SCHEMBL4753340

SCHEMBL4753340

Cc1nc(C2CC3C(C2)C3(F)F)n(-c2ccc(Cl)cc2)c(=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.39
DRD5 P21918 2/20 0.39
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
OPRM1 P35372 1/20 0.34
CRHR1 P34998 2/20 0.34
NOTUM Q6P988 1/20 0.34
GAA P10253 1/20 0.33
MAT2A P31153 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MC4R P32245 1/20 0.33
OPRK1 P41145 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR35 Q9HC97 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
SCHEMBL13985230 1.00 DRD1 (0.39) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL4755057 0.83 DRD1 (0.41) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL13985519 0.83 DRD1 (0.41) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL13985522 0.81 CRHR1 (0.41) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL4756481 0.81 CRHR1 (0.41) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL4755753 0.79 DRD1 (0.41) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL4755752 0.79 DRD1 (0.41) DRD1DRD5SMN1; SMN2POLBRAB9A
SCHEMBL13660462 0.78 POLB (0.34) DRD1DRD5POLBGRM1
SCHEMBL13660412 0.78 HRH3 (0.40) DRD1DRD5SMN1; SMN2KMT2AGAA
SCHEMBL13985510 0.75 CRHR1 (0.37) SMN1; SMN2NPC1KMT2ACRHR1GAA

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