SCHEMBL22384156

SCHEMBL22384156

CCC1CCC(c2ccc(-c3cnc(-c4ccc(CC(NC(=O)OCc5ccccc5)C(=O)N5CC(C(=O)OC(C)(C)C)C5)cc4)nc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ CCR1 P32246 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ ITGB3 P05106 2/20 0.39
▸ ITGA2B P08514 2/20 0.39
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ YAP1 P46937 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL17968796 1.00 P2RX7 (0.43) P2RX7KMT2ACCR1HRH2HRH1
SCHEMBL17834397 1.00 P2RX7 (0.43) P2RX7KMT2ACCR1HRH2HRH1
SCHEMBL17968795 1.00 P2RX7 (0.43) P2RX7KMT2ACCR1HRH2HRH1
SCHEMBL17968984 0.94 CCR1 (0.42) P2RX7CCR1ITGB3ITGA2BF13A1
SCHEMBL19465506 0.94 CCR1 (0.42) P2RX7CCR1ITGB3ITGA2BF13A1
SCHEMBL17834477 0.94 CCR1 (0.42) P2RX7CCR1ITGB3ITGA2BF13A1
SCHEMBL22384175 0.91 CCR1 (0.42) P2RX7CCR1ITGB3ITGA2BF13A1
SCHEMBL17834396 0.89 CCR1 (0.42) P2RX7CCR1ITGB3ITGA2BF13A1
SCHEMBL17968901 0.89 ITGB3 (0.42) P2RX7CCR1ITGB3ITGA2BYAP1
SCHEMBL17834702 0.89 ITGB3 (0.42) P2RX7CCR1ITGB3ITGA2BYAP1

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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