SCHEMBL12182713

SCHEMBL12182713

CCC/C=C(\O)c1cc(C)nn([C@H](C)c2ccc(F)cc2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 2/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PDPK1 O15530 2/20 0.34
▸ PPARA Q07869 2/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ SLC2A2 P11168 1/20 0.33
▸ SLC2A3 P11169 1/20 0.33
▸ SLC2A4 P14672 1/20 0.33
▸ KCNK3 O14649 2/20 0.32
▸ PSEN1 P49768 3/20 0.32
▸ PSEN2 P49810 3/20 0.32
▸ APH1B Q8WW43 3/20 0.32
▸ NCSTN Q92542 3/20 0.32
▸ APH1A Q96BI3 3/20 0.32
▸ PSENEN Q9NZ42 3/20 0.32
▸ PDE10A Q9Y233 3/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL2621651 0.81 PPARA (0.45) FPR1PDPK1PPARASLC2A1SLC2A2
SCHEMBL2621650 0.81 PPARA (0.45) FPR1PDPK1PPARASLC2A1SLC2A2
SCHEMBL12285494 0.81 PPARA (0.45) FPR1PDPK1PPARASLC2A1SLC2A2
SCHEMBL2621694 0.73 PDPK1 (0.46) FPR1PDPK1SLC2A1SLC2A2SLC2A3
SCHEMBL12285714 0.73 PDPK1 (0.46) FPR1PDPK1SLC2A1SLC2A2SLC2A3
SCHEMBL2621695 0.73 PDPK1 (0.46) FPR1PDPK1SLC2A1SLC2A2SLC2A3
SCHEMBL11509157 0.65 LMNA (0.40) KCNK3PSEN1PSEN2APH1BNCSTN
SCHEMBL11509314 0.65 KCNK3 (0.40) FPR1SLC2A1SLC2A2SLC2A3SLC2A4
SCHEMBL12285807 0.64 KDM5A (0.43) KCNK3PDE10A
SCHEMBL2621649 0.64 KDM5A (0.43) KCNK3PDE10A

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
WO-2011144622-A1 1H - IMIDAZO [4, 5 - C] QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 — — WO disclosed
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