SCHEMBL27642212

SCHEMBL27642212

[CH2]CC(C(=O)O)C(=O)N1CCN(c2cccc(CN)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 3/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ RECQL P46063 1/20 0.45
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ HTR1A P08908 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ USP2 O75604 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL27623186 0.83 MAPK1 (0.56) LMNAMAPTNPSR1HTTGAA
SCHEMBL27857403 0.82 HTR1A (0.50) LMNAMAPTHTTTSHRMAPK1
SCHEMBL27623187 0.81 LMNA (0.46) LMNAMAPTNPSR1HTTGAA
SCHEMBL28322328 0.80 AKR1C3 (0.54) LMNAMAPTTSHRMAPK1ITGB3
SCHEMBL24677569 0.78 MEN1 (0.51) LMNAMAPTNPSR1TSHRHTR1A
SCHEMBL27662780 0.77 AGXT (0.56) LMNAMAPTITGB3ITGA2BALDH1A1
SCHEMBL27468903 0.75 AGXT (0.49) LMNAITGB3ITGA2BHTR1AHTR7
SCHEMBL10282747 0.73 MEN1 (0.53) LMNAMAPTNPSR1HTTTSHR
SCHEMBL13063408 0.73 AGXT (0.46) LMNAMAPTNPSR1HTTTSHR
SCHEMBL689414 0.72 GPR119 (0.56) LMNAMAPTNPSR1HTTMEN1

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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