SCHEMBL3822019

SCHEMBL3822019

CC(C)C[C@H](N)C(=O)N(Cc1csc(N(c2ccccc2)c2ccccc2)n1)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 3/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.37
BCHE P06276 2/20 0.37
CAPN1 P07384 1/20 0.36
GRM1 Q13255 3/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 1/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 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
SCHEMBL8186622 0.87 CAPN1 (0.40) GPR88BCHECAPN1GRM1MAPT
SCHEMBL3824390 0.85 ALDH1A1 (0.46) GPR88
SCHEMBL3820116 0.83 CAPN1 (0.34) GPR88BCHECAPN1GRM1
SCHEMBL3816250 0.83 CAPN1 (0.34) GPR88BCHECAPN1GRM1
SCHEMBL3822022 0.82 PTGDR2 (0.38) GPR88PTGDR2BCHECAPN1GRM1
SCHEMBL3059140 0.80 MEN1 (0.45) PTGDR2GRM1ALOX5PTGS2MAPT
SCHEMBL8193204 0.78 DNM1L (0.38) MAPT
SCHEMBL3818572 0.77 BCHE (0.35) PTGDR2BCHEGRM1ALOX5PTGS2
SCHEMBL3816032 0.76 DPP4 (0.36) GPR88GRM1
SCHEMBL8177573 0.75 BCHE (0.32) GPR88BCHECAPN1MAPT

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
EP-2091917-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-08-26 EP claimed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed