SCHEMBL29620870

SCHEMBL29620870

O=C(NOCc1ccccc1)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.42
▸ FAAH O00519 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ DGAT1 O75907 1/20 0.38
▸ KDR P35968 2/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ VCP P55072 1/20 0.37
▸ VNN1 O95497 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL22925657 1.00 TRPV1 (0.42) TRPV1FAAHNPC1RAB9ADGAT1
SCHEMBL29621000 0.87 VCP (0.44) TRPV1FAAHNPC1RAB9ADGAT1
SCHEMBL28733674 0.87 VCP (0.44) TRPV1FAAHNPC1RAB9ADGAT1
SCHEMBL29621154 0.83 HSD11B1 (0.46) FAAHNPC1RAB9AVCPVNN1
SCHEMBL22925866 0.83 HSD11B1 (0.46) FAAHNPC1RAB9AVCPVNN1
SCHEMBL22925570 0.83 TRPV1 (0.46) TRPV1NPC1RAB9ADGAT1KDR
SCHEMBL22925659 0.82 TRPV1 (0.45) TRPV1DGAT1KDRHDAC1HDAC6
SCHEMBL29696299 0.82 TRPV1 (0.45) TRPV1DGAT1KDRHDAC1HDAC6
SCHEMBL22925658 0.82 TRPV1 (0.47) TRPV1DGAT1KDRFLT1FLT4
SCHEMBL22925662 0.79 TRPV1 (0.45) TRPV1DGAT1KDRFLT1FLT4

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 3 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
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 — — CN disclosed
Send feedback