SCHEMBL31738191

SCHEMBL31738191

CC(C)CNC(=O)c1cccc(N2CCCN2C(=O)CNC(=O)NCc2ccc(N)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 10/20 0.48
▸ POLB P06746 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PPIG Q13427 6/20 0.42
▸ PPIB P23284 6/20 0.41
▸ MAPT P10636 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ PPIA P62937 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL31738073 0.92 PPID (0.48) PPIDPPIGPPIBMAPTTSHR
SCHEMBL31737668 0.86 PPID (0.55) PPIDKMT2AGAAHSD17B10PPIG
SCHEMBL31738150 0.85 PPID (0.52) PPIDKMT2AGAAPPIGPPIB
SCHEMBL31737952 0.82 PPID (0.48) PPIDGAAPPIGPPIBPPIA
SCHEMBL31738347 0.82 PPID (0.61) PPIDPPIGPPIBPPIA
SCHEMBL31737679 0.80 PPID (0.48) PPIDKMT2APPIGPPIBPPIA
SCHEMBL31737796 0.80 PPID (0.54) PPIDPPIGPPIBPPIA
SCHEMBL31738345 0.79 PPID (0.46) PPIDKMT2AGAAPPIGPPIB
SCHEMBL31737987 0.78 PPID (0.46) PPIDKMT2AGAAPPIGPPIB
SCHEMBL31737733 0.77 PPID (0.50) PPIDPPIGPPIB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025243042-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILIN D THE UNIVERSITY OF LIVERPOOL (GB) 2025-11-27 — — WO claimed
WO-2025243042-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILIN D THE UNIVERSITY OF LIVERPOOL (GB) 2025-11-27 — — WO disclosed
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