SCHEMBL30687775

SCHEMBL30687775

CCOc1cc(CN2CCN(c3ccc(C(=O)OC(C)(C)C)nn3)CC2)cc(-c2cccc(O)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ PPARG P37231 6/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ PPARD Q03181 3/20 0.36
▸ DCTPP1 Q9H773 1/20 0.36
▸ RET P07949 3/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL30687681 0.90 PPARG (0.39) PPARADRD2DRD4DRD3PPARG
SCHEMBL30687689 0.90 ALDH1A1 (0.36) PPARADRD2DRD4DRD3PPARG
SCHEMBL30687742 0.90 PPARA (0.39) PPARADRD2DRD4DRD3PPARG
SCHEMBL30687622 0.89 DRD2 (0.40) PPARADRD2DRD4DRD3PPARG
SCHEMBL26680284 0.89 DRD2 (0.40) PPARADRD2DRD4DRD3PPARG
SCHEMBL30687816 0.86 PPARG (0.42) PPARAPPARGPPARDDCTPP1ALDH1A1
SCHEMBL26682796 0.86 DRD2 (0.38) PPARADRD2DRD4DRD3PPARG
SCHEMBL26682213 0.85 PARP1 (0.39) PPARADRD2DRD4DRD3PPARG
SCHEMBL30687793 0.85 PARP1 (0.39) PPARADRD2DRD4DRD3PPARG
SCHEMBL26681380 0.85 PARP1 (0.41) DRD2DRD4DRD3PARP1CHRM3

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
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 — — EP disclosed
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