SCHEMBL30964267

SCHEMBL30964267

COc1cccc(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ DRD2 P14416 8/20 0.55
▸ DRD4 P21917 5/20 0.55
▸ DRD3 P35462 2/20 0.54
▸ HTR2A P28223 1/20 0.53
▸ GAA P10253 3/20 0.52
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PHGDH O43175 1/20 0.51
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ P2RY12 Q9H244 1/20 0.49

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
SCHEMBL30964256 0.88 HTR1A (0.56) MAPTMAPK1DRD2DRD3HTR2A
SCHEMBL30964310 0.86 TRPV1 (0.51) ALDH1A1MAPTMAPK1DRD2DRD4
SCHEMBL30964285 0.83 TRPV1 (0.52) ALDH1A1MAPTDRD2DRD4DRD3
SCHEMBL29961296 0.75 DRD2 (0.64) ALDH1A1MAPTDRD2DRD4DRD3
SCHEMBL27979642 0.73 HTT (0.89) TSHRALDH1A1MAPTLMNAMAPK1
SCHEMBL3407378 0.72 DRD2 (0.71) DRD2DRD4DRD3HTR2A
SCHEMBL3407385 0.72 DRD2 (0.71) DRD2DRD4DRD3HTR2A
SCHEMBL30964278 0.72 CXCR3 (0.55) TSHRALDH1A1MAPK1DRD2DRD3
SCHEMBL13234916 0.70 MAPT (0.70) ALDH1A1MAPTLMNAHTR2AGAA
SCHEMBL31694679 0.70 GAA (0.60) ALDH1A1MAPTLMNADRD2DRD4

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
Send feedback