SCHEMBL30964285

SCHEMBL30964285

O=C(CNC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1)Nc1ccc(O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.52
▸ DRD3 P35462 11/20 0.48
▸ DRD2 P14416 10/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ DRD1 P21728 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL30964310 0.89 TRPV1 (0.51) TRPV1DRD3DRD2NPSR1NPC1
SCHEMBL30964256 0.84 HTR1A (0.56) TRPV1DRD3DRD2NPSR1NPC1
SCHEMBL30964267 0.83 TSHR (0.57) DRD3DRD2NPC1ALDH1A1RAB9A
SCHEMBL30964289 0.79 DRD2 (0.55) DRD3DRD2
SCHEMBL3714314 0.70 TRPV1 (0.60) TRPV1NPSR1NPC1ALDH1A1RAB9A
SCHEMBL13118936 0.69 MAPK1 (0.78) —
SCHEMBL31694688 0.68 ADAMTS5 (0.50) TRPV1DRD3DRD2ALDH1A1MEN1
SCHEMBL31694679 0.68 GAA (0.60) DRD3DRD2ALDH1A1RAB9AMEN1
SCHEMBL27237946 0.68 DRD2 (0.60) TRPV1DRD3DRD2DRD4HTR2A
SCHEMBL30965800 0.67 DRD2 (0.58) TRPV1DRD3DRD2DRD4HTR2A

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-118121699-A TPK agonists and methods of using the same for treating neurodegenerative diseases 上海日馨医药科技股份有限公司 2024-06-04 — — CN disclosed
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