SCHEMBL13985303

SCHEMBL13985303

Cc1nc([C@H]2C[C@@H](C(F)(F)F)C2)n(-c2ccc(Cl)cc2)c(=O)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.39
DRD5 P21918 3/20 0.39
POLB P06746 3/20 0.34
GRM1 Q13255 3/20 0.34
KMT2A Q03164 1/20 0.34
GSR P00390 1/20 0.34
HPGD P15428 2/20 0.33
ALOX12 P18054 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNH2 Q12809 1/20 0.32
MAT2A P31153 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL4753741 1.00 DRD1 (0.39) DRD1DRD5POLBGRM1KMT2A
SCHEMBL4753709 0.91 DRD1 (0.40) DRD1DRD5POLBGRM1KMT2A
SCHEMBL4753713 0.91 DRD1 (0.40) DRD1DRD5POLBGRM1KMT2A
SCHEMBL4753376 0.89 DRD1 (0.41) DRD1DRD5POLBGRM1KMT2A
SCHEMBL13985519 0.88 DRD1 (0.41) DRD1DRD5POLBGRM1KMT2A
SCHEMBL4755057 0.88 DRD1 (0.41) DRD1DRD5POLBGRM1KMT2A
SCHEMBL4911234 0.80 DRD1 (0.42) DRD1DRD5POLBGRM1KMT2A
SCHEMBL4755753 0.79 DRD1 (0.41) DRD1DRD5POLBGRM1KMT2A
SCHEMBL4755752 0.79 DRD1 (0.41) DRD1DRD5POLBGRM1KMT2A
SCHEMBL4753362 0.79 SMN1; SMN2 (0.40) DRD1DRD5POLBKMT2AGSR

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