SCHEMBL16624007

SCHEMBL16624007

COc1ccc2c(c1)C(N)CN(C(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.46
SLC6A3 Q01959 4/20 0.46
SLC6A4 P31645 3/20 0.46
KYAT1 Q16773 1/20 0.41
KYAT3 Q6YP21 1/20 0.41
AADAT Q8N5Z0 1/20 0.41
OPRM1 P35372 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2A P28223 2/20 0.39
SIGMAR1 Q99720 4/20 0.39
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
KDM2B Q8NHM5 1/20 0.38
ADRA2A P08913 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL16624008 0.87 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4OPRM1HTR2A
SCHEMBL16624024 0.84 SLC6A4 (0.48) SLC6A2SLC6A3SLC6A4OPRM1HTR2A
SCHEMBL16624303 0.82 SLC6A2 (0.62) SLC6A2SLC6A3SLC6A4KYAT1KYAT3
SCHEMBL18033525 0.80 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4AADATHTR2A
SCHEMBL12367363 0.76 DRD1 (0.47) DRD2DRD3HTR2AHTR2C
SCHEMBL16624030 0.75 SLC6A4 (0.48) SLC6A2SLC6A3SLC6A4KDM2B
SCHEMBL2504575 0.71 CYP2D6 (0.46) SIGMAR1MTNR1AMTNR1B
SCHEMBL22523801 0.71 MAPK3 (0.43) SLC6A2SLC6A3SLC6A4OPRM1DRD2
SCHEMBL27452944 0.71 MAPK3 (0.43) SLC6A2SLC6A3SLC6A4OPRM1DRD2
SCHEMBL26768689 0.71 METAP1 (0.44) DRD2DRD3HTR2AHTR2C

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-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
WO-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 WO disclosed