SCHEMBL28532154

SCHEMBL28532154

CN1CCC(C(=O)OC(=O)[C@H](Cc2ccc(-c3ncc(Br)cn3)cc2)NC(=O)c2ccc(C(C)(C)C)s2)C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.33
▸ ITGB1 P05556 5/20 0.33
▸ ITGA5 P08648 3/20 0.33
▸ FPR2 P25090 2/20 0.32
▸ ITGB3 P05106 2/20 0.32
▸ ITGAV P06756 2/20 0.32
▸ ITGA2B P08514 2/20 0.32
▸ ITGB5 P18084 2/20 0.32
▸ ACKR3 P25106 1/20 0.32
▸ PRCP P42785 1/20 0.32
▸ CAPN1 P07384 1/20 0.32
▸ ACACB O00763 2/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ ITGA4 P13612 2/20 0.31
▸ ITGB7 P26010 2/20 0.31
▸ IL2RA P01589 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ ALB P02768 1/20 0.31
▸ IL2 P60568 1/20 0.31

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
SCHEMBL17459589 0.94 ITGB1 (0.34) CACNA1BITGB1ITGA5PRCPACACB
SCHEMBL17459590 0.94 ITGB1 (0.34) CACNA1BITGB1ITGA5PRCPACACB
SCHEMBL28532732 0.89 ITGB1 (0.33) ITGB1ACACBITGA4ITGB7
SCHEMBL17459559 0.87 KIF11 (0.32) ITGB1PRCPACACBITGA4ITGB7
SCHEMBL17459554 0.86 KIFC1 (0.37) ITGB3ITGA2BACACBMKNK1
SCHEMBL17945643 0.85 F10 (0.39) FPR2ITGB3ITGA2BACKR3PRCP
SCHEMBL28532158 0.85 F10 (0.39) FPR2ITGB3ITGA2BACKR3PRCP
SCHEMBL28532160 0.85 F10 (0.39) FPR2ITGB3ITGA2BACKR3PRCP
SCHEMBL16306070 0.85 F10 (0.39) FPR2ITGB3ITGA2BACKR3PRCP
SCHEMBL17834369 0.84 ACACB (0.41) FPR2ITGB3ITGA2BACKR3PRCP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074820-B GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-05-18 — — CN disclosed
CN-112457301-A Novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-03-09 — — CN disclosed
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