SCHEMBL24301394

SCHEMBL24301394

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 4/20 0.51
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ HCRTR1 O43613 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL24301218 0.93 TACR1 (0.52) TACR1KMT2AMEN1MAPTKDM4E
SCHEMBL24301414 0.93 TACR1 (0.52) TACR1KMT2AMEN1MAPTKDM4E
SCHEMBL24301392 0.93 TACR1 (0.50) TACR1KMT2AMEN1MAPTKDM4E
SCHEMBL24301402 0.92 MAPT (0.49) TACR1KMT2AMEN1MAPTKDM4E
SCHEMBL24301418 0.92 NMBR (0.55) TACR1KMT2AMEN1MAPTKDM4E
SCHEMBL24301411 0.92 MAGI3 (0.52) TACR1KMT2AMEN1HCRTR1MAPT
SCHEMBL24301268 0.92 IL1RN (0.55) TACR1IL1RNERAP2
SCHEMBL24301391 0.91 GHSR (0.49) TACR1KMT2AMEN1MAPTKDM4E
SCHEMBL24301726 0.90 ACE (0.52) TACR1KMT2AACEMAGI3MAPK1
SCHEMBL24301899 0.90 TACR1 (0.54) TACR1KMT2AMEN1HCRTR1MAPT

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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