SCHEMBL9631372

SCHEMBL9631372

c1ccc(N2CCN(CCCc3cccnc3)CC2)nc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.78
HTR1A P08908 6/20 0.62
DRD2 P14416 6/20 0.62
HTR2A P28223 5/20 0.62
HTR7 P34969 5/20 0.62
DRD3 P35462 5/20 0.62
DRD4 P21917 4/20 0.62
ADRA2C P18825 3/20 0.62
DRD1 P21728 3/20 0.62
HRH1 P35367 3/20 0.62
DRD5 P21918 2/20 0.62
KCNH2 Q12809 1/20 0.59
HTR2C P28335 2/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
SLC6A2 P23975 1/20 0.55
ADRA1D P25100 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR1E P28566 1/20 0.55

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
SCHEMBL9632489 0.96 POLB (0.72) POLBHTR1ADRD2HTR2AHTR7
SCHEMBL15961309 0.88 POLB (1.00) POLBHTR1ADRD2HTR2AHTR7
SCHEMBL15961344 0.84 POLB (0.92) POLBHTR1ADRD2HTR2AHTR7
SCHEMBL9631368 0.82 POLB (0.78) POLBHTR1ADRD2HTR2AHTR7
SCHEMBL4169559 0.81 SIGMAR1 (0.67)
SCHEMBL4519313 0.80 KCNH2 (0.85) POLBHTR1ADRD2HTR2AHTR7
SCHEMBL26107525 0.80 KCNH2 (0.85) POLBHTR1ADRD2HTR2AHTR7
SCHEMBL26108725 0.80 KCNH2 (0.85) POLBHTR1ADRD2HTR2AHTR7
Bromide SCHEMBL4174825 0.80 SIGMAR1 (0.65)
SCHEMBL1233437 0.79 KCNH2 (0.69) POLBHTR1ADRD2HTR2AHTR7

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-5089497-A Dopaminergic agents WARNER-LAMBERT COMPANY (US) 1992-02-18 US claimed
US-5089497-A Dopaminergic agents WARNER-LAMBERT COMPANY (US) 1992-02-18 US disclosed