SCHEMBL29696301

SCHEMBL29696301

O=C(NCCO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ GCGR P47871 10/20 0.46
▸ TRPV1 Q8NER1 4/20 0.43
▸ VCP P55072 1/20 0.43
▸ DGAT1 O75907 1/20 0.42
▸ FAAH O00519 1/20 0.42

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
SCHEMBL22925670 1.00 HDAC1 (0.47) HDAC1HDAC6GCGRTRPV1VCP
SCHEMBL22925617 0.89 VCP (0.46) HDAC1HDAC6TRPV1VCPDGAT1
SCHEMBL29620979 0.88 TRPV1 (0.40) HDAC1HDAC6GCGRTRPV1VCP
SCHEMBL22925988 0.88 TRPV1 (0.40) HDAC1HDAC6GCGRTRPV1VCP
SCHEMBL22925985 0.88 TRPV1 (0.40) HDAC1HDAC6GCGRTRPV1VCP
SCHEMBL29620976 0.88 TRPV1 (0.40) HDAC1HDAC6GCGRTRPV1VCP
SCHEMBL22925675 0.88 TRPV1 (0.40) HDAC1HDAC6GCGRTRPV1VCP
SCHEMBL31013371 0.87 VCP (0.46) HDAC1HDAC6TRPV1VCPDGAT1
SCHEMBL22925735 0.87 VCP (0.46) HDAC1HDAC6TRPV1VCPDGAT1
SCHEMBL22925576 0.85 TRPV1 (0.47) TRPV1VCPDGAT1

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
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP disclosed
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