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SCHEMBL18166329

SCHEMBL18166329

CCc1nnnn1-c1cc(OC(=O)NCc2ccnc(N(C)C)c2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.46
▸ P2RX2 Q9UBL9 1/20 0.46
▸ EPHX1 P07099 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ TP53 P04637 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
SCHEMBL18166399 0.89 P2RX3 (0.46) P2RX3P2RX2EPHX1TRPV1MAPT
SCHEMBL18166272 0.89 P2RX3 (0.47) P2RX3P2RX2EPHX1MAPTLMNA
SCHEMBL18166351 0.88 P2RX3 (0.46) P2RX3P2RX2EPHX1TRPV1MAPT
SCHEMBL18166392 0.87 P2RX3 (0.50) P2RX3P2RX2EPHX1MAPTLMNA
SCHEMBL10243814 0.87 P2RX3 (0.57) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166465 0.84 P2RX3 (0.52) P2RX3P2RX2TRPV1MAPTLMNA
SCHEMBL18166435 0.83 P2RX3 (0.48) P2RX3P2RX2EPHX1TRPV1MAPT
SCHEMBL18166323 0.83 P2RX3 (0.47) P2RX3P2RX2EPHX1TRPV1MAPT
SCHEMBL18166332 0.83 EPHX1 (0.52) P2RX3P2RX2EPHX1MAPTLMNA
SCHEMBL18166378 0.82 P2RX3 (0.48) P2RX3P2RX2MAPTLMNASMN1; SMN2

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