SCHEMBL24915332

SCHEMBL24915332

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.55
▸ MMP2 P08253 9/20 0.50
▸ MMP8 P22894 3/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ KISS1R Q969F8 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ CTSL P07711 1/20 0.48
▸ MMP3 P08254 6/20 0.48
▸ MMP1 P03956 5/20 0.47
▸ MMP12 P39900 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
SCHEMBL8169810 0.84 MMP1 (0.53) GNPATMMP2MMP8MMP9MMP3
SCHEMBL8169814 0.84 MMP1 (0.53) GNPATMMP2MMP8MMP9MMP3
SCHEMBL18237102 0.83 CTSL (0.56) GNPATKISS1RCTSL
SCHEMBL14531809 0.81 KISS1R (0.49) GNPATMMP8KISS1RCTSLMMP1
SCHEMBL14598309 0.81 NPY4R (0.52) GNPATKISS1RCTSL
SCHEMBL14509086 0.81 GNPAT (0.48) GNPATMMP8KISS1RCTSSCTSK
SCHEMBL14598310 0.81 NPY4R (0.52) GNPATKISS1RCTSL
SCHEMBL14509071 0.79 KISS1R (0.51) GNPATKISS1RCTSL
SCHEMBL14509120 0.79 NPY4R (0.55) GNPATKISS1R
SCHEMBL23376600 0.79 CTSS (0.68) GNPATMMP2MMP8MMP9CTSS

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-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 — — WO disclosed
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