SCHEMBL24326719

SCHEMBL24326719

Cc1cc(-c2c(C)cccc2C)nc(NSc2cccc(CN3CCCN(C(=O)OC(C)(C)C)CC3C(C)C)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.34
TRPV3 Q8NET8 2/20 0.34
USP30 Q70CQ3 2/20 0.34
PFKFB3 Q16875 1/20 0.33
BCHE P06276 1/20 0.32
HTR6 P50406 1/20 0.32
ADAM17 P78536 1/20 0.32
GLS O94925 1/20 0.32
KDM1A O60341 1/20 0.32
SIRT2 Q8IXJ6 2/20 0.32
C5AR1 P21730 1/20 0.32
PARP1 P09874 1/20 0.31

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
SCHEMBL24325771 0.84 GPR119 (0.33) GPR119TRPV3USP30PFKFB3BCHE
SCHEMBL24325806 0.83 GPR119 (0.34) GPR119TRPV3USP30PFKFB3BCHE
SCHEMBL24326280 0.80 NR1H2 (0.34) GPR119TRPV3USP30PFKFB3C5AR1
SCHEMBL24326190 0.78 TBK1 (0.42) GLSKDM1APARP1
SCHEMBL24326684 0.76 P2RX3 (0.33) GPR119
SCHEMBL24325770 0.73 TRPV3 (0.35) TRPV3USP30PFKFB3ADAM17C5AR1
SCHEMBL24326398 0.73 MEN1 (0.37) TRPV3USP30PARP1
SCHEMBL24326293 0.73 SMARCA2 (0.33) GPR119TRPV3USP30PARP1
SCHEMBL24325840 0.72 BRD4 (0.35) GPR119USP30BCHEHTR6ADAM17
SCHEMBL24325821 0.71 GPR119 (0.41) GPR119

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-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed