SCHEMBL13660462

SCHEMBL13660462

O=c1c2ncsc2nc([C@H]2C[C@@H]3[C@H](C2)C3(F)F)n1-c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
PI4KB Q9UBF8 1/20 0.31
GRM1 Q13255 3/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL13660308 0.90 CHRNB2 (0.31)
SCHEMBL13660458 0.85 DRD1 (0.35) POLBDRD1DRD5PI4KBGRM1
SCHEMBL3169614 0.80 DRD1 (0.37) POLBDRD1DRD5PI4KBGRM1
SCHEMBL3169620 0.80 DRD1 (0.37) POLBDRD1DRD5PI4KBGRM1
SCHEMBL13660412 0.79 HRH3 (0.40) DRD1DRD5
SCHEMBL13985230 0.78 DRD1 (0.39) POLBDRD1DRD5GRM1
SCHEMBL4753340 0.78 DRD1 (0.39) POLBDRD1DRD5GRM1
SCHEMBL4514625 0.76 DRD1 (0.38) POLBDRD1DRD5GRM1GRM5
SCHEMBL13985522 0.73 CRHR1 (0.41) POLBDRD1DRD5
SCHEMBL4756481 0.73 CRHR1 (0.41) POLBDRD1DRD5

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-2009121036-A2 SUBSTITUTED ARYL PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2009-10-01 WO disclosed