SCHEMBL22561398

SCHEMBL22561398

CN[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CC(CN)NC(=O)C(C)C(OC)C2CCCN2C=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
FKBP4 Q02790 1/20 0.32
KLKB1 P03952 2/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL21781982 0.82 AKT1 (0.31) ITGB1ITGA5
SCHEMBL24465490 0.82 DPP4 (0.31)
SCHEMBL22561364 0.82 KDM1A (0.39) ITGB1ITGA5FKBP4KLKB1MMP1
SCHEMBL21781778 0.82 KLKB1 (0.40) FKBP4KLKB1MMP1KMT2A
SCHEMBL21781988 0.78 KDM1A (0.41) FKBP4KLKB1KMT2A
SCHEMBL22476544 0.72 MMP1 (0.44) MMP1MMP3
SCHEMBL22476440 0.72 F2 (0.38) KMT2A
SCHEMBL18752098 0.71 MME (0.44)
SCHEMBL23154537 0.70 ACE (0.46) KMT2A
SCHEMBL18688556 0.70 ACE (0.46) KMT2A

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
EP-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 EP disclosed