SCHEMBL7403793

SCHEMBL7403793

COc1ccc2ccnc(N3CCN(C(=O)O)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.51
DRD2 P14416 2/20 0.48
DRD3 P35462 1/20 0.48
PDGFRB P09619 4/20 0.48
PLAU P00749 1/20 0.47
DRD4 P21917 1/20 0.46
HCAR2 Q8TDS4 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
IDE P14735 1/20 0.43
HIF1A Q16665 1/20 0.43
EIF2AK2 P19525 1/20 0.43
DYRK1A Q13627 2/20 0.42
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL3680265 0.83 HRH4 (0.61) DRD2DRD3PLAULMNAALDH1A1
SCHEMBL1775059 0.81 HCAR2 (0.46) PDGFRBPLAUHCAR2LMNAALDH1A1
SCHEMBL17844916 0.81 HCAR2 (0.46) PDGFRBHCAR2KDM4EHRH4
SCHEMBL3678516 0.80 LRRK2 (0.50) MTNR1BDRD2DRD3PLAUDRD4
Trifluoroacetic Acid SCHEMBL30619102 0.80 NCF1 (0.50) DRD2DRD3PLAUHRH4
SCHEMBL3678007 0.80 NCF1 (0.61) DYRK1A
SCHEMBL1729130 0.77 ENPP1 (0.51) MTNR1BDRD2DRD3DRD4
SCHEMBL1775392 0.77 HCAR2 (0.43) PDGFRBPLAUHCAR2LMNAALDH1A1
SCHEMBL27626446 0.77 HCAR2 (0.41) HCAR2HRH4
SCHEMBL27626531 0.77 HCAR2 (0.41) HCAR2HRH4

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
EP-0971928-A1 QUINOLINE-2(1H)-ONE AND DIHYDROQUINOLINE-2(1H)-ONE DERIVATIVES AS LIGANDS OF 5-HT, 5-HT2 AND 5-HT1-LIKE RECEPTORS SANOFI-SYNTHELABO (FR) 2000-01-19 EP disclosed
WO-1998042712-A1 QUINOLINE-2(1H)-ONE AND DIHYDROQUINOLINE-2(1H)-ONE DERIVATIVES AS LIGANDS OF 5-HT, 5-HT2 AND 5-HT1-LIKE RECEPTORS SANOFI-SYNTHELABO (FR) 1998-10-01 WO disclosed