SCHEMBL18166269

SCHEMBL18166269

Cc1ccc(-c2cc(OC(=O)NC(C)c3ccccn3)cc(-n3nnnc3C(C)C)c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.38
P2RX2 Q9UBL9 2/20 0.38
MAPK1 P28482 4/20 0.34
MAP3K5 Q99683 6/20 0.33
PTGS2 P35354 1/20 0.32
ACKR3 P25106 1/20 0.32
CTSA P10619 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL18166288 0.91 P2RX3 (0.37) P2RX3P2RX2MAPK1MAP3K5ALDH1A1
SCHEMBL18166380 0.90 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL18166349 0.90 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL18166431 0.89 P2RX3 (0.43) P2RX3P2RX2MAPK1PTGS2
SCHEMBL10244892 0.87 P2RX3 (0.50) P2RX3P2RX2
SCHEMBL18166394 0.86 ROCK1 (0.38) P2RX3P2RX2MAPK1MAP3K5CTSA
SCHEMBL18166460 0.86 AKR1C3 (0.38) P2RX3P2RX2MAPK1MAP3K5ALDH1A1
SCHEMBL18166367 0.85 MAOB (0.40) P2RX3P2RX2PKMSMN1; SMN2
SCHEMBL18166417 0.85 P2RX3 (0.33) P2RX3P2RX2MAP3K5
SCHEMBL18166268 0.85 P2RX3 (0.49) P2RX3P2RX2

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
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed