SCHEMBL7697170

SCHEMBL7697170

Cc1nc2n(c(=O)c1CCN1CCC(c3coc4cc(F)ccc34)CC1)CCS2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.53
HTR2A P28223 12/20 0.53
HTR1A P08908 6/20 0.53
KCNH2 Q12809 3/20 0.53
HTR2C P28335 3/20 0.53
SLC6A4 P31645 3/20 0.53
ADRA2A P08913 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
DRD1 P21728 2/20 0.53
DRD4 P21917 2/20 0.53
DRD5 P21918 2/20 0.53
HTR1D P28221 2/20 0.53
HTR1B P28222 2/20 0.53
HTR7 P34969 2/20 0.53
ADRA1A P35348 2/20 0.53
HRH1 P35367 2/20 0.53
DRD3 P35462 2/20 0.53
SCN5A Q14524 2/20 0.53
CYP2D6 P10635 2/20 0.53

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
SCHEMBL7283232 0.86 DRD2 (0.72) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL7703857 0.82 DRD2 (0.51) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL7701569 0.82 HTR2C (0.61) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL7699932 0.82 DRD2 (0.55) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL9492109 0.82 DRD2 (0.51) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL7323722 0.81 DRD2 (0.75) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL9202999 0.81 DRD2 (0.51) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL9199749 0.80 HTR2A (0.67) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL7700609 0.77 HTR2C (0.47) DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL9276925 0.76 DRD2 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348457-B1 ANTAGONIZING RESERPINE IN MAMMALS JANSSEN PHARMACEUTICA N.V. (BE) 2002-02-19 US disclosed
EP-0672043-B1 NOVEL 4-(3-BENZOFURANYL)PIPERIDINYL AND 4-(3-BENZOTHIENYL)PIPERIDINYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA NV (BE) 2001-05-30 EP disclosed