SCHEMBL27270915

SCHEMBL27270915

CC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 13/20 0.50
▸ ACE2 Q9BYF1 11/20 0.50
▸ ACE P12821 11/20 0.50
▸ CPA1 P15085 9/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ EPHX1 P07099 1/20 0.49
▸ ACACB O00763 1/20 0.48
▸ SRR Q9GZT4 1/20 0.45
▸ PSAT1 Q9Y617 1/20 0.45
▸ FFAR1 O14842 1/20 0.45
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44

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
SCHEMBL19042806 0.92 MEN1 (0.59) MMEMEN1KMT2ATAAR1EPHX1
SCHEMBL13827709 0.92 MEN1 (0.59) MMEMEN1KMT2ATAAR1EPHX1
SCHEMBL24306612 0.87 MME (0.57) MMEACE2ACECPA1EPHX1
SCHEMBL12524788 0.84 ESR1 (0.51) MMEACE2ACECPA1MEN1
SCHEMBL12829849 0.83 SLC6A4 (0.41) MEN1KMT2ATAAR1EPHX1MMP9
SCHEMBL14598295 0.82 MME (0.54) MMEACE2ACECPA1ACACB
SCHEMBL20976910 0.82 MME (0.54) MMEACE2ACECPA1ACACB
SCHEMBL8228374 0.82 MME (0.54) MMEACE2ACECPA1ACACB
SCHEMBL15354984 0.80 ITGB1 (0.49) MMEACE2ACECPA1MEN1
SCHEMBL21263555 0.79 MME (0.52) MMEACE2ACECPA1ACACB

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-2024059472-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-21 — — WO disclosed
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