SCHEMBL31404580

SCHEMBL31404580

CNC(=O)c1ccc(N2CCN(C3CCN(C(=O)OC(C)(C)C)C3)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ USP30 Q70CQ3 4/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.46
▸ GPR119 Q8TDV5 8/20 0.45
▸ EGFR P00533 2/20 0.45
▸ PARP1 P09874 3/20 0.42
▸ PARP6 Q2NL67 1/20 0.42
▸ PARP2 Q9UGN5 1/20 0.42
▸ PARP3 Q9Y6F1 1/20 0.42

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
SCHEMBL29396475 0.86 SMN1; SMN2 (0.65) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL22912831 0.86 SMN1; SMN2 (0.65) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL29220893 0.83 USP30 (0.49) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL25738320 0.82 PARP1 (0.47) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL27203534 0.82 SMN1; SMN2 (0.60) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL27203569 0.81 MEN1 (0.48) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL31048020 0.80 MEN1 (0.45) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL25738115 0.80 HDAC1 (0.48) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL25208908 0.79 HRH3 (0.71) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL25293821 0.79 USP30 (0.50) MEN1MAPTTSHRKMT2ASMN1; SMN2

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-2025073583-A1 PARP1 INHIBITOR COMPOUNDS Duke Street Bio Limited (GB) 2025-04-10 — — WO disclosed
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