SCHEMBL14198331

SCHEMBL14198331

Cc1nc2n(c(=O)c1CCN1CCC(C)CC1)CCCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.61
HTR2A P28223 16/20 0.61
HTR1A P08908 14/20 0.61
KCNH2 Q12809 3/20 0.57
HTR2C P28335 2/20 0.57
ADRA1A P35348 2/20 0.57
HRH1 P35367 2/20 0.57
DRD3 P35462 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
SLC22A2 O15244 1/20 0.57
CACNA1F O60840 1/20 0.57
ADRB2 P07550 1/20 0.57
CHRM2 P08172 1/20 0.57
CHRM4 P08173 1/20 0.57
CHRM5 P08912 1/20 0.57
ADRA2A P08913 1/20 0.57
CYP2D6 P10635 1/20 0.57
CHRM1 P11229 1/20 0.57
TSHR P16473 1/20 0.57
ADRA2B P18089 1/20 0.57

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
SCHEMBL460865 0.79 DRD2 (0.49) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL8338559 0.79 DRD2 (0.49) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL9910963 0.78 DRD2 (0.48) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL5623016 0.78 DRD2 (0.48) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL6091966 0.78 DRD2 (0.48) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL12345546 0.78 DRD2 (0.48) DRD2HTR2AHTR1AKCNH2HTR2C
Hydrochloric Acid SCHEMBL1443956 0.78 DRD2 (0.48) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL7702842 0.77 DRD2 (0.79) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL7291846 0.77 DRD2 (0.66) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL7292040 0.77 DRD2 (0.79) DRD2HTR2AHTR1AKCNH2HTR2C

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
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed