SCHEMBL24899372

SCHEMBL24899372

CCC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.56
MME P08473 7/20 0.52
ACE P12821 6/20 0.52
ACE2 Q9BYF1 6/20 0.52
CPA1 P15085 5/20 0.52
HDAC1 Q13547 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
PSMB5 P28074 1/20 0.50
MMP1 P03956 1/20 0.49
FCER2 P06734 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
SCHEMBL9978223 0.92 PSMB5 (0.56) HPGDSACEPSMB5MMP1FCER2
SCHEMBL24183726 0.92 PSMB5 (0.56) HPGDSACEPSMB5MMP1FCER2
SCHEMBL7903892 0.88 MME (0.66) MMEACEACE2CPA1
SCHEMBL7901632 0.88 MME (0.66) MMEACEACE2CPA1
SCHEMBL22338710 0.85 GRIA1 (0.45) HPGDSACEPSMB5MMP1FCER2
SCHEMBL26909780 0.84 HPGDS (0.58) HPGDSMMEACEACE2CPA1
SCHEMBL4348297 0.84 HPGDS (0.58) HPGDSMMEACEACE2CPA1
SCHEMBL27761115 0.84 HDAC1 (0.69) HDAC1HDAC6
SCHEMBL16823433 0.82 HPGDS (0.53) HPGDSMMEACEACE2CPA1
SCHEMBL27258868 0.82 ACACB (0.62) MMEACEACE2CPA1

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-2023288213-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-19 WO disclosed