SCHEMBL18166375

SCHEMBL18166375

Cc1ccc(-c2cc(OC(=O)NC(C)c3cccnc3)cc(-n3nnnc3C(C)C)c2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
MAP3K5 Q99683 5/20 0.34
P2RX7 Q99572 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GRM1 Q13255 1/20 0.33
KCNA5 P22460 1/20 0.33
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL18166340 0.91 LMNA (0.36) P2RX3P2RX2MAP3K5P2RX7ROCK1
SCHEMBL18166460 0.91 AKR1C3 (0.38) P2RX3P2RX2MAP3K5ROCK2ROCK1
SCHEMBL18166271 0.88 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL10244704 0.87 P2RX3 (0.48) P2RX3P2RX2MAP3K5P2RX7ROCK2
SCHEMBL18166288 0.86 P2RX3 (0.37) P2RX3P2RX2MAP3K5TSHRPOLB
SCHEMBL18036329 0.84 P2RX3 (0.33) P2RX3P2RX2MAP3K5MAPT
SCHEMBL18036352 0.84 P2RX3 (0.33) P2RX3P2RX2MAP3K5MAPT
SCHEMBL18036373 0.82 DGAT2 (0.32) KDM4EMAPT
SCHEMBL18166394 0.82 ROCK1 (0.38) P2RX3P2RX2MAP3K5ROCK2ROCK1
SCHEMBL18166284 0.81 MAP3K5 (0.35) P2RX3P2RX2MAP3K5

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