SCHEMBL29620901

SCHEMBL29620901

Oc1cccnc1Nc1ncc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.54
▸ KDR P35968 2/20 0.44
▸ VCP P55072 2/20 0.43
▸ FLT1 P17948 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ P2RY1 P47900 1/20 0.40
▸ KIT P10721 2/20 0.40
▸ AR P10275 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL29620896 0.85 TRPV1 (0.52) TRPV1KDRVCPFLT1FLT4
SCHEMBL29620954 0.85 DHODH (0.44) TRPV1KDRVCPFLT1FLT4
SCHEMBL23540014 0.77 VCP (0.69) TRPV1KDRVCPFLT1FLT4
SCHEMBL29620916 0.77 TRPV1 (0.58) TRPV1KDRVCPFLT1FLT4
SCHEMBL22925556 0.77 TRPV1 (0.55) TRPV1KDRVCPFLT1FLT4
SCHEMBL31013395 0.76 TRPV1 (0.58) TRPV1KDRFLT1FLT4P2RY1
SCHEMBL21497150 0.76 EPHX2 (0.56) TRPV1TLR7ARALDH1A1CYP1A2
SCHEMBL14057525 0.76 TRPV1 (0.66) TRPV1KDRVCPFLT1FLT4
SCHEMBL29620892 0.75 TRPV1 (0.59) TRPV1KDRFLT1FLT4P2RY1
SCHEMBL31013391 0.75 TRPV1 (0.56) TRPV1KDRFLT1FLT4TLR7

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
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 — — CN disclosed
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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