SCHEMBL29220834

SCHEMBL29220834

CCNC(=O)c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.43
▸ USP30 Q70CQ3 3/20 0.43
▸ GPR119 Q8TDV5 3/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ 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
▸ CSF1R P07333 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL25093965 0.88 PARP1 (0.48) HRH3USP30GPR119PARP1MEN1
SCHEMBL31178523 0.88 PARP1 (0.48) HRH3USP30GPR119PARP1MEN1
SCHEMBL25193220 0.85 USP30 (0.54) PIK3CDUSP30GPR119EPHX2
SCHEMBL25093966 0.84 GPR119 (0.50) HRH3USP30GPR119EPHX2
SCHEMBL30019202 0.84 GPR119 (0.50) HRH3USP30GPR119EPHX2
SCHEMBL31044549 0.84 USP30 (0.44) PIK3CDUSP30GPR119EPHX2
SCHEMBL1698892 0.84 GPR119 (0.48) PIK3CDUSP30GPR119EPHX2
SCHEMBL12523843 0.84 MEN1 (0.43) PIK3CDUSP30GPR119MEN1KMT2A
SCHEMBL25289168 0.82 USP30 (0.47) PIK3CDUSP30GPR119
SCHEMBL30888904 0.82 USP30 (0.47) PIK3CDUSP30GPR119

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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