SCHEMBL22384231

SCHEMBL22384231

CCCc1ccc(-c2ccc(-c3cnc(-c4ccc(CC(NC(=O)OCc5ccccc5)C(=O)N5CC(C(=O)OC(C)(C)C)C5)cc4)nc3)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 9/20 0.43
▸ ITGB3 P05106 2/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ ITGA2B P08514 1/20 0.37

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
SCHEMBL17834418 1.00 P2RX7 (0.43) P2RX7ITGB3ITGAVKMT2AFNTA
SCHEMBL17825441 0.93 ITGB3 (0.42) P2RX7ITGB3ITGAVFNTAFNTB
SCHEMBL17968809 0.93 ITGB3 (0.42) P2RX7ITGB3ITGAVFNTAFNTB
SCHEMBL17834535 0.84 DPP4 (0.41) HRH2HRH1
SCHEMBL17532278 0.83 P2RX7 (0.52) P2RX7ITGB3KMT2AHRH2HRH1
SCHEMBL16305994 0.83 HRH2 (0.48) P2RX7ITGB3ITGAVHRH2HRH1
SCHEMBL16294766 0.83 HRH2 (0.48) P2RX7ITGB3ITGAVHRH2HRH1
SCHEMBL17968795 0.81 P2RX7 (0.43) P2RX7ITGB3KMT2AHRH2HRH1
SCHEMBL22384156 0.81 P2RX7 (0.43) P2RX7ITGB3KMT2AHRH2HRH1
SCHEMBL17968796 0.81 P2RX7 (0.43) P2RX7ITGB3KMT2AHRH2HRH1

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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