SCHEMBL27623187

SCHEMBL27623187

C[CH]C(C(=O)O)C(=O)N1CCN(c2cccc(CN)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HTT P42858 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ROCK2 O75116 1/20 0.39

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
SCHEMBL27642212 0.81 LMNA (0.47) LMNANPSR1TSHRMAPK1RECQL
SCHEMBL27857403 0.80 HTR1A (0.50) LMNATSHRMAPK1HTTMAPT
SCHEMBL28322328 0.78 AKR1C3 (0.54) LMNATSHRMAPK1MAPTITGB3
SCHEMBL24677569 0.76 MEN1 (0.51) LMNANPSR1TSHRMAPTHTR1A
SCHEMBL27662780 0.75 AGXT (0.56) LMNAMAPTITGB3ITGA2BL3MBTL1
SCHEMBL10282747 0.74 MEN1 (0.53) LMNANPSR1TSHRMAPK1HTT
SCHEMBL27966422 0.73 AGXT (0.49) MAPTITGB3ITGA2B
SCHEMBL689414 0.72 GPR119 (0.56) LMNANPSR1HTTMAPTMEN1
SCHEMBL13063408 0.71 AGXT (0.46) LMNANPSR1TSHRMAPK1HTT
SCHEMBL27742224 0.71 ITGB3 (0.47) LMNAMAPK1GAAMAPTITGB3

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
CN-1747732-A 2-aminocarbonyl-quinoline compounds as platelet adenosine diphosphate receptor antagonists SCHERING AG (DE) 2006-03-15 — — CN claimed
CN-1747732-A 2-aminocarbonyl-quinoline compounds as platelet adenosine diphosphate receptor antagonists SCHERING AG (DE) 2006-03-15 — — CN disclosed
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