SCHEMBL4044836

SCHEMBL4044836

CN(C)C(c1ccc(I)cc1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
BCL2A1 Q16548 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
SLC6A3 Q01959 2/20 0.31
SLC6A4 P31645 1/20 0.31
OPRM1 P35372 1/20 0.31
KDR P35968 1/20 0.31
APP P05067 1/20 0.31
CHRNA7 P36544 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
SCHEMBL4044130 0.80 PYCR1 (0.40) BCL2A1SLC6A3SLC6A4OPRM1
SCHEMBL1327427 0.73 BCL2A1 (0.43) BCL2A1SLC6A3SLC6A4
SCHEMBL1326713 0.73 BCL2A1 (0.46) BCL2A1SLC6A3SLC6A4OPRM1KDR
SCHEMBL22012424 0.73 HTR2A (0.35) BCL2A1HTR2AHTR2C
SCHEMBL493690 0.73 AOC3 (0.38) HTR2ASLC6A3SLC6A4
SCHEMBL1326522 0.73 SLC6A4 (0.38) HTR2AHTR2CSLC6A3SLC6A4OPRM1
SCHEMBL22012419 0.73 ALDH1A1 (0.45) CHRNA7
SCHEMBL17900515 0.72 GAA (0.47) HTR2ASLC6A3SLC6A4OPRM1KDR
SCHEMBL13903208 0.72 GAA (0.47) HTR2ASLC6A3SLC6A4OPRM1KDR
SCHEMBL643245 0.72 IDO1 (0.38) HTR2ASLC6A3SLC6A4OPRM1KDR

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-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed