SCHEMBL24914431

SCHEMBL24914431

N#Cc1cccc(CN2CCc3c(c(=O)n(Cc4ccc(C(F)(F)F)cc4)c4ncccc34)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 15/20 0.53
▸ CYP3A4 P08684 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL30130042 1.00 CLPP (0.53) CLPPCYP3A4L3MBTL1DRD2DRD4
SCHEMBL24914764 0.91 CLPP (0.55) CLPPENPP2MAPT
SCHEMBL30130132 0.91 CLPP (0.55) CLPPENPP2MAPT
SCHEMBL30130164 0.91 CLPP (0.56) CLPPENPP2MAPT
SCHEMBL24914466 0.91 CLPP (0.56) CLPPENPP2MAPT
SCHEMBL24914522 0.90 CLPP (0.65) CLPPCYP3A4DRD2DRD4DRD3
SCHEMBL30130034 0.90 CLPP (0.65) CLPPCYP3A4DRD2DRD4DRD3
SCHEMBL24914527 0.89 CLPP (0.55) CLPPMAPT
SCHEMBL24914658 0.89 CLPP (0.55) CLPPMAPT
SCHEMBL24914525 0.89 CLPP (0.55) CLPPDRD2DRD4DRD3MAPT

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
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