SCHEMBL21699883

SCHEMBL21699883

CNCCN1CCC(c2cccc(C)n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.67
DRD4 P21917 13/20 0.67
HTR1A P08908 12/20 0.67
KCNH2 Q12809 6/20 0.62
CARM1 Q86X55 6/20 0.57
PRMT6 Q96LA8 6/20 0.57
TLR9 Q9NR96 1/20 0.46

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
SCHEMBL21699882 0.84 DRD2 (0.65) DRD2DRD4HTR1AKCNH2
SCHEMBL21661933 0.83 DRD2 (0.59) DRD2DRD4HTR1AKCNH2CARM1
Hydrochloric Acid SCHEMBL21642940 0.82 DRD2 (0.58) DRD2DRD4HTR1AKCNH2CARM1
SCHEMBL23714663 0.81 DRD4 (0.59) DRD2DRD4HTR1AKCNH2TLR9
SCHEMBL17888476 0.79 DRD2 (0.53) DRD2DRD4HTR1AKCNH2
SCHEMBL21642942 0.77 DRD2 (1.00) DRD2DRD4HTR1AKCNH2
SCHEMBL21662150 0.76 DRD4 (1.00) DRD2DRD4HTR1AKCNH2
SCHEMBL13490648 0.76 DRD2 (0.60) DRD2DRD4HTR1AKCNH2
SCHEMBL21662149 0.75 DRD4 (1.00) DRD2DRD4HTR1AKCNH2
SCHEMBL21662153 0.75 DRD2 (1.00) DRD2DRD4HTR1AKCNH2

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
EP-3608314-A1 2,6-DISUBSTITUTED PYRIDINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-02-12 EP disclosed