SCHEMBL18230336

SCHEMBL18230336

O=C(Nc1nc(-c2ccccn2)c(C(=O)N2CCOCC2)s1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.48
▸ EPHX2 P34913 3/20 0.47
▸ TRPV1 Q8NER1 1/20 0.47
▸ BTK Q06187 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ SCD O00767 1/20 0.45
▸ TRPV4 Q9HBA0 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MITF O75030 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ SCN9A Q15858 1/20 0.43

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
SCHEMBL18230443 0.91 TRPV1 (0.48) TRPV1ADORA2AADORA1SCDTRPV4
SCHEMBL18230400 0.85 TRPV4 (0.56) LRRK2TRPV1ADORA2AADORA1TRPV4
SCHEMBL18230291 0.83 ADORA1 (0.57) TRPV1ADORA2AADORA1SMN1; SMN2MAPT
SCHEMBL24358171 0.82 GPR52 (0.48) MAPTMEN1KMT2A
SCHEMBL30745660 0.82 GPR52 (0.48) MAPTMEN1KMT2A
SCHEMBL18230217 0.81 TRPV1 (0.54) TRPV1ADORA2AADORA1SMN1; SMN2MAPT
SCHEMBL18230465 0.80 TRPV1 (0.48) LRRK2EPHX2TRPV1ADORA2AADORA1
SCHEMBL18230379 0.80 ADORA2A (0.71) TRPV1ADORA2AADORA1SMN1; SMN2MAPT
SCHEMBL18230521 0.80 TRPV1 (0.59) TRPV1ADORA2AADORA1SMN1; SMN2MAPT
SCHEMBL18230442 0.79 TRPV1 (0.52) TRPV1ADORA2AADORA1TRPV4SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
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