SCHEMBL17825459

SCHEMBL17825459

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(Br)cn3)cc2)C(=O)N2CCC(C(=O)O)C2)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.37
▸ FPR2 P25090 2/20 0.37
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ACKR3 P25106 1/20 0.35
▸ F10 P00742 2/20 0.35
▸ PLG P00747 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ PRSS1 P07477 2/20 0.34
▸ TMPRSS15 P98073 2/20 0.34
▸ CAPN1 P07384 1/20 0.34
▸ MME P08473 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL16342612 1.00 PRCP (0.37) PRCPFPR2ITGB3ITGA2BKMT2A
SCHEMBL22150105 1.00 PRCP (0.37) PRCPFPR2ITGB3ITGA2BKMT2A
SCHEMBL16342611 1.00 PRCP (0.37) PRCPFPR2ITGB3ITGA2BKMT2A
SCHEMBL16295882 0.94 PYGL (0.38) PRCPFPR2ITGB3ITGA2BACE2
SCHEMBL16343488 0.94 PYGL (0.38) PRCPFPR2ITGB3ITGA2BACE2
SCHEMBL16306082 0.93 PRCP (0.42) PRCPFPR2KMT2AACKR3F10
SCHEMBL16306070 0.92 F10 (0.39) PRCPFPR2ITGB3ITGA2BKMT2A
SCHEMBL28532158 0.92 F10 (0.39) PRCPFPR2ITGB3ITGA2BKMT2A
SCHEMBL28532160 0.92 F10 (0.39) PRCPFPR2ITGB3ITGA2BKMT2A
SCHEMBL17945643 0.92 F10 (0.39) PRCPFPR2ITGB3ITGA2BKMT2A

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
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 — — EP disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — WO disclosed
Send feedback