SCHEMBL18166323

SCHEMBL18166323

CCc1nnnn1-c1cc(OC(=O)NCc2ccc(N)nc2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.47
P2RX2 Q9UBL9 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
PTK2 Q05397 1/20 0.36
KIT P10721 1/20 0.35
GAA P10253 2/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL18166435 0.92 P2RX3 (0.48) P2RX3P2RX2SMN1; SMN2MAPTGAA
SCHEMBL18166397 0.90 P2RX3 (0.46) P2RX3P2RX2SMN1; SMN2MAPTGAA
SCHEMBL18166399 0.89 P2RX3 (0.46) P2RX3P2RX2SMN1; SMN2MAPTKIT
SCHEMBL18166272 0.89 P2RX3 (0.47) P2RX3P2RX2SMN1; SMN2MAPTGAA
SCHEMBL18166311 0.89 P2RX3 (0.49) P2RX3P2RX2MAPTPTK2LMNA
SCHEMBL18166332 0.86 EPHX1 (0.52) P2RX3P2RX2MAPTEPHX1KDM4E
SCHEMBL18166392 0.86 P2RX3 (0.50) P2RX3P2RX2SMN1; SMN2MAPTGAA
SCHEMBL18166433 0.85 P2RX3 (0.49) P2RX3P2RX2MAPTLMNANPSR1
SCHEMBL18166379 0.84 P2RX3 (0.46) P2RX3P2RX2MAPTLMNA
SCHEMBL18166444 0.84 P2RX3 (0.48) 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