SCHEMBL9048293

SCHEMBL9048293

CCNCCCCCN1C(=O)Cc2cc(-c3ccccc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 13/20 0.43
BMPR1B O00238 6/20 0.42
BMPR1A P36894 6/20 0.42
TGFBR1 P36897 6/20 0.42
ACVRL1 P37023 6/20 0.42
ACVR1 Q04771 6/20 0.42
HTR1A P08908 6/20 0.41
DRD2 P14416 2/20 0.41
DRD5 P21918 2/20 0.41
DRD3 P35462 2/20 0.41
CYP1A2 P05177 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL9049638 0.78 MAOB (0.56)
SCHEMBL9097905 0.70 DRD2 (0.62) HTR7HTR1ADRD2DRD5DRD3
SCHEMBL23339326 0.69 HTR7 (0.63) HTR7HTR1ADRD2DRD5DRD3
SCHEMBL15396975 0.69 HTR7 (0.63) HTR7HTR1ADRD2DRD5DRD3
SCHEMBL27675343 0.69 ALDH1A1 (0.46) HTR7BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL27675339 0.68 CNR1 (0.44) HTR7BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL27655367 0.68 CNR1 (0.44) HTR7BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2491730 0.68 HTR7 (0.62) HTR7HTR1ADRD2DRD5DRD3
SCHEMBL17049383 0.67 MGLL (0.50) HTR7HTR1ADRD2DRD3CYP1A2
SCHEMBL15301093 0.67 MGLL (0.50) HTR7HTR1ADRD2DRD3CYP1A2

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-0703901-A1 1-SUBSTITUTED ISATIN AND OXINDOLE DERIVATIVES AS INHIBITORS OF ACETYLCHOLINESTERASE Astra Aktiebolag (SE) 1996-04-03 EP disclosed
WO-1994029272-A1 1-SUBSTITUTED ISATIN AND OXINDOLE DERIVATIVES AS INHIBITORS OF ACETYLCHOLINESTERASE ASTRA AKTIEBOLAG (SE) 1994-12-22 WO disclosed