SCHEMBL29621008

SCHEMBL29621008

NNC(=O)c1ncccc1Nc1ncc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 11/20 0.56
▸ DGAT1 O75907 1/20 0.47
▸ P2RY1 P47900 1/20 0.42
▸ KIT P10721 3/20 0.42
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ KDR P35968 1/20 0.39

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
SCHEMBL31013391 0.91 TRPV1 (0.56) TRPV1DGAT1P2RY1KITHDAC1
SCHEMBL31013395 0.89 TRPV1 (0.58) TRPV1DGAT1P2RY1KITHDAC1
SCHEMBL29620916 0.88 TRPV1 (0.58) TRPV1DGAT1P2RY1KITTLR7
SCHEMBL29620882 0.82 TRPV1 (0.57) TRPV1DGAT1P2RY1KITHDAC1
SCHEMBL30323493 0.80 EGLN1 (0.49) TRPV1TLR7KDR
SCHEMBL28733707 0.77 TRPV1 (0.55) TRPV1HDAC6KDR
SCHEMBL22925617 0.77 VCP (0.46) TRPV1DGAT1HDAC1HDAC6KDR
SCHEMBL29620892 0.76 TRPV1 (0.59) TRPV1P2RY1KITKDR
SCHEMBL29620901 0.74 TRPV1 (0.54) TRPV1P2RY1KITTLR7KDR
SCHEMBL31013366 0.74 GSK3B (0.53) P2RY1HDAC1HDAC6

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
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 — — CN disclosed
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