SCHEMBL3820116

SCHEMBL3820116

CCN(c1nc(CN(C(=O)[C@H](N)CC(C)C)c2ccc(F)cc2)cs1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.34
GPR88 Q9GZN0 2/20 0.34
BCHE P06276 3/20 0.31
GRM1 Q13255 1/20 0.31
HCRTR1 O43613 1/20 0.31
GRIA2 P42262 3/20 0.31
GRIN2A Q12879 3/20 0.31
GRIN1 Q05586 2/20 0.30
DPP4 P27487 1/20 0.30
DPP9 Q86TI2 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
SCHEMBL3816250 1.00 CAPN1 (0.34) CAPN1GPR88BCHEGRM1HCRTR1
SCHEMBL8187785 0.91 GRM1 (0.33) CAPN1GPR88BCHEGRM1HCRTR1
SCHEMBL3816032 0.87 DPP4 (0.36) GPR88GRM1DPP4DPP9
SCHEMBL3818837 0.85 DPP9 (0.32) GRM1GRIA2GRIN2AGRIN1DPP4
SCHEMBL3822208 0.84 GRM1 (0.34) GRM1HCRTR1GRIA2GRIN2AGRIN1
SCHEMBL8186622 0.84 CAPN1 (0.40) CAPN1GPR88BCHEGRM1HCRTR1
SCHEMBL3060078 0.84 GRM1 (0.35) GRM1GRIA2GRIN2AGRIN1
SCHEMBL3822019 0.83 GPR88 (0.38) CAPN1GPR88BCHEGRM1
SCHEMBL3820120 0.83 CAPN1 (0.33) CAPN1BCHEHCRTR1GRIA2GRIN2A
SCHEMBL3816257 0.83 CAPN1 (0.33) CAPN1BCHEHCRTR1GRIA2GRIN2A

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