SCHEMBL23230052

SCHEMBL23230052

CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 2/20 0.60
▸ SSTR3 P32745 1/20 0.57
▸ ITGB3 P05106 1/20 0.52
▸ ITGA2B P08514 1/20 0.52
▸ PSMB5 P28074 2/20 0.52
▸ GRIA1 P42261 1/20 0.50
▸ MMP2 P08253 10/20 0.48
▸ MMP3 P08254 8/20 0.48
▸ MMP1 P03956 7/20 0.48
▸ MMP7 P09237 6/20 0.48
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNB4 P30926 1/20 0.48
▸ CHRNA3 P32297 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48

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
SCHEMBL24829473 0.88 SSTR3 (0.57) CALCRLSSTR3ITGB3ITGA2BPSMB5
SCHEMBL19456877 0.86 SSTR3 (0.54) CALCRLSSTR3ITGB3ITGA2BPSMB5
SCHEMBL16854865 0.85 CALCRL (0.54) CALCRLSSTR3
SCHEMBL30583376 0.84 CALCRL (0.58) CALCRLMMP3MMP1
SCHEMBL31720861 0.84 ITGB3 (0.62) ITGB3ITGA2BGRIA1
SCHEMBL23286123 0.84 CALCRL (0.52) CALCRLSSTR3ITGB3ITGA2BGRIA1
SCHEMBL13166473 0.82 SPHK1 (0.50) SSTR3MMP2MMP3MMP1
SCHEMBL27058431 0.81 CALCRL (0.55) CALCRLSSTR3PSMB5
SCHEMBL14140557 0.81 LTA4H (0.52) CALCRLSSTR3PSMB5MMP2MMP3
SCHEMBL19719375 0.81 LTA4H (0.52) CALCRLSSTR3PSMB5MMP2MMP3

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-2021072203-A1 TGFBETAR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 — — WO disclosed
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