SCHEMBL22384492

SCHEMBL22384492

CCCOc1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(C5CCC(CC)CC5)cc4)cn3)cc2)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.44
▸ ITGA2B P08514 5/20 0.44
▸ GPR132 Q9UNW8 1/20 0.43
▸ ITGB1 P05556 7/20 0.42
▸ ITGA5 P08648 4/20 0.42
▸ ITGAV P06756 2/20 0.42
▸ ITGA4 P13612 3/20 0.42
▸ ACACB O00763 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ KLKB1 P03952 1/20 0.40

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
SCHEMBL17834646 1.00 ITGB3 (0.44) ITGB3ITGA2BGPR132ITGB1ITGA5
SCHEMBL17834684 0.90 GPR132 (0.41) ITGB3ITGA2BGPR132ITGB1ITGA5
SCHEMBL17834624 0.90 L3MBTL1 (0.41) ITGB3ITGA2BGPR132ITGB1ITGA5
SCHEMBL17834635 0.90 ITGB1 (0.40) ITGB3ITGA2BGPR132ITGB1ITGA5
SCHEMBL17834669 0.89 DGAT1 (0.41) ITGB3ITGA2BGPR132ITGB1ITGA5
SCHEMBL17834638 0.89 ITGB1 (0.40) ITGB3ITGA2BGPR132ITGB1ITGA5
SCHEMBL17834643 0.89 ITGB1 (0.40) ITGB3ITGA2BGPR132ITGB1ITGA5
SCHEMBL19481403 0.89 GPR132 (0.46) ITGB3ITGA2BGPR132ITGB1ITGA4
SCHEMBL17995135 0.88 CA2 (0.46) GPR132ITGB1ITGA4CA2
SCHEMBL17834647 0.88 ITGB1 (0.40) ITGB3ITGA2BGPR132ITGB1ITGA5

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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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