SCHEMBL18166376

SCHEMBL18166376

Cc1ccc(-c2cc(OC(=O)NCc3ccc(C)nc3)cc(-n3nnnc3C(C)C)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.39
P2RX2 Q9UBL9 2/20 0.39
EPHX1 P07099 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
KIT P10721 1/20 0.33
GLS O94925 1/20 0.33
FAAH O00519 1/20 0.33
HDAC1 Q13547 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
WDR5 P61964 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
SCHEMBL18166446 0.88 P2RX3 (0.45) P2RX3P2RX2
SCHEMBL18166435 0.87 P2RX3 (0.48) P2RX3P2RX2EPHX1SMN1; SMN2FAAH
SCHEMBL18166430 0.84 ADORA2A (0.41) P2RX3P2RX2EPHX1SMN1; SMN2
SCHEMBL18166368 0.84 P2RX3 (0.47) P2RX3P2RX2EPHX1
SCHEMBL18166342 0.84 P2RX3 (0.41) P2RX3P2RX2KIT
SCHEMBL18166275 0.83 P2RX3 (0.38) P2RX3P2RX2
SCHEMBL18166413 0.83 P2RX3 (0.41) P2RX3P2RX2EPHX1SMN1; SMN2TRPV1
SCHEMBL18166384 0.83 P2RX3 (0.36) P2RX3P2RX2EPHX1NPC1RAB9A
SCHEMBL18166336 0.82 P2RX3 (0.40) P2RX3P2RX2SMN1; SMN2
SCHEMBL18166371 0.82 P2RX3 (0.46) 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