SCHEMBL30964310

SCHEMBL30964310

O=C(CNC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1)Nc1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.51
▸ DRD2 P14416 10/20 0.49
▸ DRD3 P35462 8/20 0.49
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HTR2A P28223 3/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ GOT1 P17174 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
SCHEMBL30964285 0.89 TRPV1 (0.52) TRPV1DRD2DRD3NPC1ALDH1A1
SCHEMBL30964267 0.86 TSHR (0.57) DRD2DRD3NPC1ALDH1A1RAB9A
SCHEMBL30964256 0.83 HTR1A (0.56) TRPV1DRD2DRD3NPC1RAB9A
SCHEMBL30964289 0.72 DRD2 (0.55) DRD2DRD3
SCHEMBL31694679 0.71 GAA (0.60) DRD2DRD3ALDH1A1RAB9ADRD4
SCHEMBL27237946 0.69 DRD2 (0.60) TRPV1DRD2DRD3HTR2ADRD4
SCHEMBL3714314 0.68 TRPV1 (0.60) TRPV1NPC1ALDH1A1RAB9ANPSR1
SCHEMBL30965800 0.67 DRD2 (0.58) TRPV1DRD2DRD3HTR2ADRD4
SCHEMBL6907029 0.67 ALDH1A1 (0.67) NPC1ALDH1A1RAB9ANPSR1MAPT
SCHEMBL28972664 0.67 ADAMTS5 (0.61) DRD2DRD3HTR2ADRD4MAPT

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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