SCHEMBL27748147

SCHEMBL27748147

CC(CO)NC(=O)c1cc(-c2ccc(Cl)cn2)cc(-n2nnnc2C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.46
P2RX2 Q9UBL9 9/20 0.46
CYP2C9 P11712 1/20 0.43
HDAC4 P56524 1/20 0.42
MAP4K4 O95819 1/20 0.41
AHR P35869 1/20 0.38

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
SCHEMBL4318767 1.00 P2RX3 (0.46) P2RX3P2RX2CYP2C9HDAC4MAP4K4
SCHEMBL4324205 0.91 P2RX3 (0.45) P2RX3P2RX2CYP2C9
SCHEMBL4322514 0.91 P2RX3 (0.57) P2RX3P2RX2CYP2C9
SCHEMBL27769417 0.91 P2RX3 (0.57) P2RX3P2RX2CYP2C9
SCHEMBL2278031 0.89 P2RX3 (0.48) P2RX3P2RX2CYP2C9HDAC4MAP4K4
SCHEMBL28790992 0.89 P2RX3 (0.48) P2RX3P2RX2CYP2C9HDAC4MAP4K4
SCHEMBL11990755 0.88 P2RX3 (0.51) P2RX3P2RX2MAP4K4
SCHEMBL357102 0.87 P2RX3 (0.48) P2RX3P2RX2MAP4K4AHR
SCHEMBL10244154 0.86 P2RX3 (0.53) P2RX3P2RX2MAP4K4
SCHEMBL4327153 0.86 P2RX3 (0.53) P2RX3P2RX2MAP4K4

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
CN-101479250-A Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed