SCHEMBL22167333

SCHEMBL22167333

CCCCCC1CCC(C2CC=C(c3cnc(-c4ccc(CC(NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N5CCC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 7/20 0.33
▸ ST14 Q9Y5Y6 1/20 0.31
▸ ITGB3 P05106 3/20 0.31
▸ ITGA2B P08514 3/20 0.31
▸ PRCP P42785 1/20 0.31
▸ P2RY12 Q9H244 1/20 0.30
▸ ENPP2 Q13822 1/20 0.30
▸ PLG P00747 1/20 0.30
▸ PLAU P00749 1/20 0.30
▸ F10 P00742 1/20 0.30

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
SCHEMBL17539188 1.00 F2 (0.33) F2ST14ITGB3ITGA2BPRCP
SCHEMBL22167172 0.96 F2 (0.33) F2PRCPPLGPLAUF10
SCHEMBL17459540 0.96 F2 (0.33) F2PRCPPLGPLAUF10
SCHEMBL17459547 0.96 F2 (0.32) F2ITGB3ITGA2BP2RY12
SCHEMBL22167416 0.96 F2 (0.32) F2ITGB3ITGA2BP2RY12
SCHEMBL17492937 0.95 F2 (0.34) F2ITGB3ITGA2BPRCPPLG
SCHEMBL17492938 0.95 F2 (0.34) F2ITGB3ITGA2BPRCPPLG
SCHEMBL22167188 0.92 F2 (0.31) F2
SCHEMBL17459563 0.92 F2 (0.31) F2
SCHEMBL17492907 0.92 F2 (0.31) F2

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-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
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