SCHEMBL24301411

SCHEMBL24301411

COC(=O)[C@@H](NC(=O)[C@H](CCC(=O)C=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.52
▸ TACR1 P25103 5/20 0.50
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ HCRTR1 O43613 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ BLM P54132 1/20 0.47

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
SCHEMBL24301217 0.94 MAGI3 (0.51) MAGI3TACR1MEN1KMT2AMAPT
SCHEMBL24301742 0.94 MAGI3 (0.52) MAGI3TACR1MEN1KMT2AMAPT
SCHEMBL24301250 0.93 MAGI3 (0.55) MAGI3TACR1MEN1KMT2AHCRTR1
SCHEMBL24301284 0.92 NMBR (0.54) MAGI3TACR1MEN1KMT2AMAPT
SCHEMBL24301412 0.92 MAGI3 (0.49) MAGI3TACR1MEN1KMT2AMAPT
SCHEMBL24301394 0.92 TACR1 (0.51) MAGI3TACR1MEN1KMT2AHCRTR1
SCHEMBL24301415 0.91 MAGI3 (0.49) MAGI3TACR1MEN1KMT2AMAPT
SCHEMBL24302534 0.91 MAGI3 (0.54) MAGI3TACR1CASP1CASP3CASP7
SCHEMBL24301268 0.90 IL1RN (0.55) TACR1IL1RNERAP2
SCHEMBL24301726 0.89 ACE (0.52) MAGI3TACR1KMT2AACEECE1

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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