SCHEMBL18036367

SCHEMBL18036367

COC[C@@H](C)NC(=O)Oc1cc(-c2ccc(C)cc2F)cc(-n2nnnc2C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35
MAP3K5 Q99683 1/20 0.32
FAAH O00519 1/20 0.32
PTGS2 P35354 1/20 0.32
CTSA P10619 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
SCHEMBL18036425 1.00 P2RX3 (0.35) P2RX3P2RX2MAP3K5FAAHPTGS2
SCHEMBL18036399 0.92 APOL1 (0.34) FAAHPTGS2
SCHEMBL18036393 0.92 P2RX3 (0.43) P2RX3P2RX2MAP3K5FAAHCTSA
SCHEMBL18036415 0.91 HPGD (0.35) FAAHPTGS2
SCHEMBL18036447 0.91 HPGD (0.35) FAAHPTGS2
SCHEMBL18036373 0.90 DGAT2 (0.32)
SCHEMBL18036395 0.89 P2RX3 (0.41) P2RX3P2RX2
SCHEMBL18036402 0.89 P2RX3 (0.41) P2RX3P2RX2
SCHEMBL18036356 0.88 P2RX3 (0.40) P2RX3P2RX2
SCHEMBL10244247 0.87 P2RX3 (0.47) 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-2592070-B1 Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2016-08-31 EP claimed