SCHEMBL24914661

SCHEMBL24914661

COc1ccc(Cn2c(=O)c3c(c4cccnc42)CCN(Cc2cccc(Cl)c2)C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.57
▸ DRD4 P21917 6/20 0.57
▸ DRD3 P35462 3/20 0.57
▸ MAPT P10636 3/20 0.56
▸ THRB P10828 1/20 0.56
▸ CLPP Q16740 6/20 0.52
▸ CYP3A4 P08684 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL30130063 1.00 DRD2 (0.57) DRD2DRD4DRD3MAPTTHRB
SCHEMBL24914459 0.91 CLPP (0.61) DRD2DRD4DRD3MAPTCLPP
SCHEMBL30130162 0.91 CLPP (0.61) DRD2DRD4DRD3MAPTCLPP
SCHEMBL24914768 0.91 CLPP (0.61) DRD2DRD4DRD3MAPTTHRB
SCHEMBL24914686 0.91 CLPP (0.61) DRD2DRD4DRD3MAPTTHRB
SCHEMBL30130104 0.91 MAPT (0.67) DRD2DRD4DRD3MAPTTHRB
SCHEMBL24914835 0.91 MAPT (0.67) DRD2DRD4DRD3MAPTTHRB
SCHEMBL24914833 0.90 CLPP (0.54) DRD2DRD4DRD3MAPTTHRB
SCHEMBL24914723 0.90 CLPP (0.54) DRD2DRD4DRD3MAPTTHRB
SCHEMBL30130047 0.90 CLPP (0.54) DRD2DRD4DRD3MAPTTHRB

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
WO-2023284807-A1 COMPOUND CONTAINING TETRAHYDRONAPHTHYRIDONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 中国药科大学 2023-01-19 — — WO disclosed
Send feedback