SCHEMBL24301217

SCHEMBL24301217

CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)C=N)C(=O)N[C@H](C(=O)OC(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.51
▸ TACR1 P25103 5/20 0.49
▸ TACR3 P29371 1/20 0.49
▸ MMP9 P14780 2/20 0.47
▸ MMP8 P22894 2/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL24301902 0.94 MAGI3 (0.52) MAGI3TACR1TACR3MMP9MMP8
SCHEMBL24301411 0.94 MAGI3 (0.52) MAGI3TACR1MAPTCASP1CASP3
SCHEMBL24301899 0.93 TACR1 (0.54) TACR1TACR3MMP9MMP8MMP2
SCHEMBL24301419 0.93 MAGI3 (0.54) MAGI3TACR1TACR3MMP9MMP8
SCHEMBL22355217 0.93 TACR1 (0.52) TACR1TACR3MMP9MMP8MMP2
SCHEMBL22354581 0.93 TACR1 (0.52) TACR1TACR3MMP9MMP8MMP2
SCHEMBL24301742 0.92 MAGI3 (0.52) MAGI3TACR1MMP2MAPTCASP1
SCHEMBL24301392 0.92 TACR1 (0.50) TACR1TACR3MMP9MMP8MMP2
SCHEMBL24301900 0.91 TACR1 (0.49) MAGI3TACR1TACR3MMP9MMP8
SCHEMBL24301284 0.91 NMBR (0.54) MAGI3TACR1MAPTCASP1CASP3

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-2022078462-A1 NOVEL GLUTAMINE ANALOGS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-04-21 — — WO disclosed
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