SCHEMBL24725502

SCHEMBL24725502

CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)CN)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.56
▸ MMP8 P22894 3/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ MMP1 P03956 7/20 0.56
▸ MMP7 P09237 1/20 0.56
▸ TACR3 P29371 1/20 0.55
▸ NMBR P28336 4/20 0.54
▸ TACR1 P25103 1/20 0.54
▸ ECE1 P42892 1/20 0.52

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
SCHEMBL30051310 0.87 ACE (0.68) ECE1
SCHEMBL3855087 0.84 ACE (0.56) MMP8MMP9MMP1ECE1
SCHEMBL3855086 0.84 ACE (0.56) MMP8MMP9MMP1ECE1
SCHEMBL29794215 0.82 EDNRA (0.60) MMP2MMP8MMP9MMP1MMP7
SCHEMBL23417743 0.81 OPRM1 (0.55) MMP8MMP9MMP1TACR3NMBR
SCHEMBL30051401 0.81 ACE (0.59) MMP8MMP9MMP1ECE1
SCHEMBL30051825 0.81 ACE (0.64) ECE1
SCHEMBL30426315 0.80 ERAP2 (0.53) MMP2MMP8MMP9MMP1ECE1
SCHEMBL9114908 0.80 MAGI3 (0.69) MMP8MMP9MMP1ECE1
SCHEMBL9141715 0.80 MAGI3 (0.69) MMP8MMP9MMP1ECE1

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-2022235699-A2 POTENT ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF IMMUNOGLOBULINS AND OTHER PROTEINS AVILAR THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
Send feedback