SCHEMBL28532732

SCHEMBL28532732

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(Br)cn3)cc2)C(=O)OC(=O)C2CN(C(C)(C)C)C2)s1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ HPGDS O60760 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
SCHEMBL17459590 0.93 ITGB1 (0.34) ITGB1ITGA4ITGB7ACACBHPGDS
SCHEMBL17459589 0.93 ITGB1 (0.34) ITGB1ITGA4ITGB7ACACBHPGDS
SCHEMBL17459559 0.89 KIF11 (0.32) ITGB1ITGA4ITGB7ACACBHPGDS
SCHEMBL28532154 0.89 CACNA1B (0.33) ITGB1ITGA4ITGB7ACACB
SCHEMBL17459554 0.86 KIFC1 (0.37) ACACBHPGDS
SCHEMBL17468537 0.85 FPR2 (0.34) ITGB1ITGA4ITGB7ACACB
SCHEMBL17492936 0.85 FPR2 (0.34) ITGB1ITGA4ITGB7ACACB
SCHEMBL17468557 0.84 FPR2 (0.34) ITGB1ITGA4ITGB7ACACBHPGDS
SCHEMBL22384298 0.84 ACACB (0.35) ACACB
SCHEMBL16305977 0.84 ACACB (0.35) ACACB

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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