SCHEMBL29720392

SCHEMBL29720392

Oc1ccc2c(c1)NCC=C2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
TNKS2 Q9H2K2 1/20 0.36
ESR2 Q92731 1/20 0.34
PTPRC P08575 1/20 0.32
TYR P14679 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CA2 P00918 1/20 0.30
CA5A P35218 1/20 0.30

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
SCHEMBL1176363 1.00 DRD2 (0.37) DRD2DRD4TNKS2ESR2PTPRC
SCHEMBL9453911 0.84 DRD2 (0.41) DRD2DRD4ESR2TYRMAOA
SCHEMBL30688503 0.76 TNKS2 (0.36) TNKS2
SCHEMBL7111337 0.76 TNKS2 (0.36) TNKS2
SCHEMBL15161193 0.76 GAA (0.38) TNKS2
SCHEMBL762345 0.72 ALDH1A1 (0.34) TNKS2
SCHEMBL22278266 0.72 TNKS2 (0.34) TNKS2
SCHEMBL6648586 0.72 TNKS2 (0.39) TNKS2
SCHEMBL10242603 0.72 TNKS2 (0.41) TNKS2
SCHEMBL7472650 0.71 DRD2 (0.36) DRD2DRD4ESR2TYR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112745262-B Preparation method of brexpiprazole intermediate 7-hydroxy-1H-quinoline-2-ketone 江苏恩华药业股份有限公司 2022-07-12 CN claimed
CN-120865178-A Eperide Process for preparing azoles 济宁晟泰药业有限公司 2025-10-31 CN disclosed
CN-112858524-B Detection method and application of brexpiprazole related substance 丽珠集团新北江制药股份有限公司 2022-12-20 CN disclosed
CN-112745262-B Preparation method of brexpiprazole intermediate 7-hydroxy-1H-quinoline-2-ketone 江苏恩华药业股份有限公司 2022-07-12 CN disclosed
CN-112745262-B Preparation method of brexpiprazole intermediate 7-hydroxy-1H-quinoline-2-ketone 江苏恩华药业股份有限公司 2022-07-12 CN disclosed
CN-112745262-B Preparation method of brexpiprazole intermediate 7-hydroxy-1H-quinoline-2-ketone 江苏恩华药业股份有限公司 2022-07-12 CN disclosed