SCHEMBL29220893

SCHEMBL29220893

CNC(=O)c1ccc(C2CN(C3CCN(C(=O)OC(C)(C)C)C3)C2)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 5/20 0.49
▸ DDB1 Q16531 1/20 0.46
▸ CRBN Q96SW2 1/20 0.46
▸ GPR119 Q8TDV5 3/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ NR3C1 P04150 3/20 0.41
▸ WNT3A P56704 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SRC P12931 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ NAMPT P43490 1/20 0.39

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
SCHEMBL29220928 0.92 USP30 (0.43) USP30DDB1CRBNGPR119CCNT1
SCHEMBL25093627 0.87 DDB1 (0.58) USP30DDB1CRBNGPR119WNT3A
SCHEMBL29220941 0.86 USP30 (0.46) USP30DDB1CRBNGPR119WNT3A
SCHEMBL31404580 0.83 MEN1 (0.50) USP30GPR119MEN1MAPTTSHR
SCHEMBL31598717 0.80 USP30 (0.52) USP30DDB1CRBNGPR119WNT3A
SCHEMBL30902535 0.79 USP30 (0.51) USP30GPR119
SCHEMBL25286886 0.79 USP30 (0.51) USP30GPR119
SCHEMBL30896212 0.79 USP30 (0.51) USP30GPR119
SCHEMBL25243822 0.79 USP30 (0.51) USP30GPR119
SCHEMBL31362194 0.79 USP30 (0.51) USP30GPR119

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
CN-118119629-A Nitrogen-containing heterocyclic compound and medical application thereof 中国医药研究开发中心有限公司 2024-05-31 — — CN disclosed
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