SCHEMBL10080658

SCHEMBL10080658

CC1OC(C(C2CCCCC2)N2N=C(CN(C)C(=O)OC(C)(C)C)CC2=O)O1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.37
SLC6A4 P31645 6/20 0.37
HTR2A P28223 1/20 0.32

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
SCHEMBL10080649 0.84 HTR2C (0.41) HTR2CSLC6A4HTR2A
SCHEMBL10079908 0.83 HTR2C (0.40) HTR2CSLC6A4HTR2A
SCHEMBL10079931 0.82 HTR2C (0.43) HTR2CSLC6A4HTR2A
SCHEMBL14924853 0.79 HTR2C (0.38) HTR2CSLC6A4HTR2A
SCHEMBL10080299 0.74 HTR2C (0.33) HTR2CSLC6A4HTR2A
SCHEMBL10080296 0.73 HTR2C (0.48) HTR2CSLC6A4HTR2A
SCHEMBL22485443 0.73 HTR2C (0.32) HTR2CSLC6A4
SCHEMBL360372 0.72 HTR2C (0.40) HTR2CSLC6A4HTR2A
SCHEMBL10079903 0.72 HTR2C (0.47) HTR2CSLC6A4HTR2A
SCHEMBL14924170 0.71 KDM4E (0.39) HTR2CSLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012008528-A1 PYRAZOLE COMPOUND 大日本住友製薬株式会社 (JP) 2012-01-19 WO disclosed