SCHEMBL16624008

SCHEMBL16624008

COc1ccc2c(c1)C(F)CN(C(C)C)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ACACB O00763 7/20 0.40
OPRM1 P35372 1/20 0.39
HTR2A P28223 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SIGMAR1 Q99720 3/20 0.38

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
SCHEMBL16624007 0.87 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3OPRM1HTR2A
SCHEMBL16624024 0.83 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3ACACBOPRM1
SCHEMBL18034954 0.81 SLC6A4 (0.62) SLC6A2SLC6A4SLC6A3OPRM1SIGMAR1
SCHEMBL18033527 0.81 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3ACACBHTR2A
SCHEMBL12367363 0.75 DRD1 (0.47) HTR2AKDM4EALDH1A1LMNAMAPT
SCHEMBL16624030 0.74 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3KDM2B
SCHEMBL16624090 0.71 ACACB (0.43) ACACBALDH1A1
SCHEMBL26768689 0.70 METAP1 (0.44) HTR2AKDM4EALDH1A1LMNAMAPT
SCHEMBL13521646 0.70 DRD1 (0.57)
SCHEMBL29557542 0.70 DRD1 (0.57)

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