SCHEMBL18230451

SCHEMBL18230451

CC(=O)N1CCN(c2sc(NC(=O)c3ccc(C(F)(F)F)cc3)nc2-c2ccccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.59
▸ TRPV1 Q8NER1 3/20 0.47
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ ITK Q08881 1/20 0.43
▸ EIF2AK4 Q9P2K8 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ SLC6A7 Q99884 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL18230420 0.91 TRPV4 (0.70) TRPV4TRPV1ADORA2AADORA1MEN1
SCHEMBL18230400 0.87 TRPV4 (0.56) TRPV4TRPV1ADORA2AADORA1MEN1
SCHEMBL18230473 0.80 TRPV1 (0.50) TRPV4TRPV1ADORA2AADORA1NPC1
SCHEMBL18230523 0.80 TRPV1 (0.57) TRPV1ADORA2AADORA1NPC1RAB9A
SCHEMBL18230379 0.80 ADORA2A (0.71) TRPV1ADORA2AADORA1NPC1RAB9A
SCHEMBL18230521 0.80 TRPV1 (0.59) TRPV1ADORA2AADORA1NPC1RAB9A
SCHEMBL18230474 0.79 TRPV1 (0.52) TRPV4TRPV1ADORA2AADORA1MEN1
SCHEMBL18230428 0.79 MAPT (0.46) TRPV1ITKNPC1RAB9AMAPT
SCHEMBL18230280 0.79 TRPV1 (0.58) TRPV1ADORA2AADORA1NPC1RAB9A
SCHEMBL18230443 0.78 TRPV1 (0.48) TRPV4TRPV1ADORA2AADORA1NPC1

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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