SCHEMBL5289616

SCHEMBL5289616

COc1cccc2c1N(C)C(=O)CC2.COc1cccc2c1NC(=O)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.39
AADAT Q8N5Z0 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP3A4 P08684 1/20 0.38
PTK2 Q05397 1/20 0.38
TRIM24 O15164 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
DRD4 P21917 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
SRD5A1 P18405 1/20 0.35
DRD1 P21728 1/20 0.34

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
SCHEMBL96857 0.87 AADAT (0.48) AADATCYP19A1CYP11B1CYP11B2CYP3A4
SCHEMBL98343 0.85 HTR5A (0.50) HTR5ACYP19A1CYP11B1CYP11B2HTR2C
SCHEMBL8999207 0.73 GAA (0.47) AADATHTR2CHTR2BDRD2DRD3
SCHEMBL1317350 0.72 AHR (0.56) HTR5AHTR2C
SCHEMBL18513671 0.70 NPC1 (0.40) HTR5ACYP19A1CYP11B1CYP11B2NPC1
SCHEMBL31448552 0.70 SRD5A1 (0.42) PTK2TRIM24SRD5A1MAP2K1
SCHEMBL12090742 0.70 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2DRD2NPC1
SCHEMBL31448535 0.69 RHEB (0.43) PTK2DRD2SRD5A1
SCHEMBL31448498 0.67 NPC1 (0.46) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8555101 0.67 SRD5A1 (0.46) AADATCYP19A1CYP11B1CYP11B2HTR2C

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-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed