SCHEMBL28075683

SCHEMBL28075683

O=Cc1ncccc1C1CNCCO1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HTR1A P08908 1/20 0.37

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
SCHEMBL29133334 0.83 DRD2 (0.40) DRD2DRD3HTR1A
SCHEMBL5347558 0.78 DRD2 (0.46) DRD2DRD3HTR1A
SCHEMBL27936488 0.78 DRD2 (0.42) DRD2DRD3
SCHEMBL1665692 0.78 DRD2 (0.40) DRD2DRD3HTR1A
SCHEMBL28930812 0.77 SLC6A3 (0.42)
SCHEMBL136564 0.77 DRD2 (0.43) DRD2DRD3HTR1A
SCHEMBL29226953 0.75 DRD2 (0.43) DRD2DRD3HTR1A
SCHEMBL21505570 0.74 TRIM24 (0.34)
SCHEMBL28569196 0.73 DRD2 (0.38) DRD2DRD3
SCHEMBL28397008 0.72 MEN1 (0.43) DRD2DRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115835865-A CBP/catenin signal transmission path inhibitor and application thereof 3+2 制药有限责任公司 2023-03-21 CN disclosed
CN-103570683-B Polysubstituted aminated compounds and its preparation method and application 中国科学院上海药物研究所 2018-04-17 CN disclosed
CN-103570688-B 2,5-diaminomethyl pyrazine compounds, its pharmaceutical composition, preparation method and purposes 中国科学院上海药物研究所 2016-06-08 CN disclosed