SCHEMBL29202481

SCHEMBL29202481

C[C@H](OC(N)=O)C(=O)NCc1cc2cnccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.49
▸ NAMPT P43490 10/20 0.43
▸ MASP2 O00187 1/20 0.42
▸ CYP2C9 P11712 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ F3 P13726 3/20 0.39
▸ F10 P00742 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ NCOR2 Q9Y618 2/20 0.38
▸ DAO P14920 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
SCHEMBL29202484 1.00 F2 (0.49) F2NAMPTMASP2CYP2C9SMN1; SMN2
SCHEMBL23461309 0.85 F2 (0.52) F2NAMPTMASP2CYP2C9SMN1; SMN2
SCHEMBL23461311 0.85 F2 (0.52) F2NAMPTMASP2CYP2C9SMN1; SMN2
SCHEMBL23452548 0.80 F2 (0.61) F2NAMPTMASP2CYP2C9SMN1; SMN2
SCHEMBL23452545 0.80 F2 (0.61) F2NAMPTMASP2CYP2C9SMN1; SMN2
Trifluoroacetic Acid SCHEMBL29880434 0.79 F2 (0.50) F2NAMPTMASP2CYP2C9F3
Trifluoroacetic Acid SCHEMBL23452218 0.79 F2 (0.50) F2NAMPTMASP2CYP2C9F3
SCHEMBL30765591 0.78 NAMPT (0.48) F2NAMPTCYP2C9SMN1; SMN2HDAC3
SCHEMBL23452339 0.77 F2 (0.48) F2NAMPTCYP2C9SMN1; SMN2HDAC3
SCHEMBL23478384 0.77 F2 (0.54) F2NAMPTMASP2CYP2C9SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964684-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 — — CN disclosed
CN-117964683-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 — — CN disclosed
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