SCHEMBL16624052

SCHEMBL16624052

COc1ccc2c(c1)C(O)CN(C(C)C)CC2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.46
MTNR1A P48039 4/20 0.46
SIGMAR1 Q99720 2/20 0.44
KDM2B Q8NHM5 1/20 0.43
GRIN2B Q13224 2/20 0.42
GRIN1 Q05586 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
DRD1 P21728 2/20 0.42
DRD2 P14416 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL16624024 0.86 SLC6A4 (0.48) MTNR1BMTNR1ASIGMAR1KDM2BHRH3
SCHEMBL17993845 0.82 SIGMAR1 (0.56) MTNR1BSIGMAR1GRIN2BGRIN1DRD1
SCHEMBL18033544 0.82 SLC6A2 (0.37) SIGMAR1GRIN2BGRIN1HRH3DRD1
SCHEMBL16624030 0.78 SLC6A4 (0.48) KDM2BGRIN2BGRIN1HRH3
SCHEMBL15088517 0.76 HRH3 (0.61) HRH3DRD1DRD2DRD5DRD3
SCHEMBL326892 0.75 MTNR1A (0.54) MTNR1BMTNR1ASIGMAR1DRD2DRD3
SCHEMBL4320078 0.74 HRH3 (0.59) SIGMAR1HRH3DRD1DRD2DRD5
SCHEMBL13521646 0.74 DRD1 (0.57) HRH3DRD1DRD2DRD5DRD3
SCHEMBL29557542 0.74 DRD1 (0.57) HRH3DRD1DRD2DRD5DRD3
SCHEMBL16624050 0.74 ACACB (0.41) HRH3

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-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 WO disclosed