SCHEMBL18166398

SCHEMBL18166398

CCc1nnnn1-c1cc(OC(=O)NCc2cnccn2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.57
P2RX2 Q9UBL9 3/20 0.57
MAPT P10636 1/20 0.36
EPHX1 P07099 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGDS O60760 1/20 0.35
LMNA P02545 2/20 0.34
PIK3CA P42336 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL18166444 0.89 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL18166378 0.89 P2RX3 (0.48) P2RX3P2RX2MAPTSMN1; SMN2LMNA
SCHEMBL18166368 0.87 P2RX3 (0.47) P2RX3P2RX2EPHX1HPGDSMEN1
SCHEMBL18166311 0.87 P2RX3 (0.49) P2RX3P2RX2MAPTLMNA
SCHEMBL18166332 0.86 EPHX1 (0.52) P2RX3P2RX2MAPTEPHX1LMNA
SCHEMBL10244399 0.86 P2RX3 (0.71) P2RX3P2RX2MAPTSMN1; SMN2LMNA
SCHEMBL18166392 0.86 P2RX3 (0.50) P2RX3P2RX2MAPTEPHX1SMN1; SMN2
SCHEMBL18166414 0.85 P2RX3 (0.48) P2RX3P2RX2MAPTSMN1; SMN2LMNA
SCHEMBL18166433 0.85 P2RX3 (0.49) P2RX3P2RX2MAPTLMNA
SCHEMBL18166437 0.84 P2RX3 (0.45) P2RX3P2RX2MAPTSMN1; SMN2LMNA

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