SCHEMBL18230382

SCHEMBL18230382

O=C(Nc1nc(-c2ccccn2)c(C(F)(F)F)s1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.53
▸ ADORA1 P30542 3/20 0.52
▸ ADORA2A P29274 2/20 0.52
▸ ADORA3 P0DMS8 9/20 0.48
▸ GRM1 Q13255 1/20 0.46
▸ KDM4A O75164 1/20 0.45
▸ KDM4B O94953 1/20 0.45
▸ KDM5B Q9UGL1 1/20 0.45
▸ TRPV4 Q9HBA0 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ MAPK14 Q16539 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
SCHEMBL18230402 0.95 ADORA1 (0.55) TRPV1ADORA1ADORA2AADORA3GRM1
SCHEMBL18230521 0.94 TRPV1 (0.59) TRPV1ADORA1ADORA2AADORA3GRM1
SCHEMBL18230222 0.93 ADORA2A (0.48) TRPV1ADORA1ADORA2AADORA3GRM1
SCHEMBL18230427 0.90 ADORA1 (0.54) TRPV1ADORA1ADORA2AADORA3GRM1
SCHEMBL18230261 0.89 ADORA3 (0.62) ADORA1ADORA2AADORA3TRPV4MEN1
SCHEMBL18230372 0.88 TRPV1 (0.55) TRPV1ADORA1ADORA2AADORA3GRM1
SCHEMBL18230228 0.87 GCK (0.52) ADORA1ADORA2AADORA3KDM4AKDM4B
SCHEMBL18230398 0.86 TRPV1 (0.56) TRPV1ADORA1ADORA2AADORA3GRM1
SCHEMBL18230312 0.85 GCK (0.55) ADORA1ADORA2AADORA3GRM1TRPV4
SCHEMBL18230491 0.85 GRM1 (0.47) ADORA1ADORA2AADORA3GRM1TRPV4

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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