SCHEMBL27707619

SCHEMBL27707619

CC=Cc1cccc2c1CCCN2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.37
▸ GRIA2 P42262 1/20 0.37
▸ GRIA3 P42263 1/20 0.37
▸ GRIA4 P48058 1/20 0.37
▸ NUDT1 P36639 5/20 0.36
▸ DRD2 P14416 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ PARP1 P09874 2/20 0.31
▸ KDM1A O60341 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ UHRF1 Q96T88 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.30
▸ PARP11 Q9NR21 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
SCHEMBL5248954 0.81 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4NUDT1
SCHEMBL5542226 0.77 NOTUM (0.40) BCHEPARP1PARP10PARP11
SCHEMBL5757236 0.76 NUDT1 (0.47) GRIA1GRIA2GRIA3GRIA4NUDT1
SCHEMBL30826409 0.76 NUDT1 (0.47) GRIA1GRIA2GRIA3GRIA4NUDT1
SCHEMBL21443855 0.75 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4NUDT1
SCHEMBL8364082 0.71 NOTUM (0.43) BCHEPARP1TP53PARP10PARP11
SCHEMBL27707696 0.71 MEN1 (0.34) CYP1A2RAB9A
SCHEMBL4206469 0.71 BCHE (0.39) GRIA1GRIA2GRIA3GRIA4NUDT1
SCHEMBL31170775 0.71 PARP1 (0.44) GRIA1GRIA2GRIA3GRIA4NUDT1
SCHEMBL6221804 0.71 PARP1 (0.44) GRIA1GRIA2GRIA3GRIA4NUDT1

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-101048414-B Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD 2011-09-07 — — CN disclosed
CN-101048414-A Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD (GB) 2007-10-03 — — CN disclosed
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