SCHEMBL9631388

SCHEMBL9631388

c1ccc(N2CCN(CCCCc3cnc4ccccc4c3)CC2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.63
DRD3 P35462 10/20 0.63
DRD4 P21917 9/20 0.63
HTR1A P08908 8/20 0.63
HTR2A P28223 7/20 0.63
HTR7 P34969 6/20 0.63
ADRA2C P18825 2/20 0.63
DRD1 P21728 2/20 0.63
HRH1 P35367 2/20 0.63
DRD5 P21918 1/20 0.63
POLB P06746 1/20 0.62
HTR2C P28335 3/20 0.58
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
SLC6A2 P23975 1/20 0.58
ADRA1D P25100 1/20 0.58
HTR1D P28221 1/20 0.58
HTR1B P28222 1/20 0.58
HTR1E P28566 1/20 0.58
ADRA1A P35348 1/20 0.58

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
SCHEMBL9631663 0.88 HTR1A (0.61) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL15961344 0.81 POLB (0.92) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL9631368 0.79 POLB (0.78) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL9632489 0.79 POLB (0.72) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL9527094 0.79 DRD4 (0.47) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL4519313 0.78 KCNH2 (0.85) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL26108725 0.78 KCNH2 (0.85) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL26107525 0.78 KCNH2 (0.85) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL9631705 0.78 HTR1A (0.66) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL15961309 0.78 POLB (1.00) DRD2DRD3DRD4HTR1AHTR2A

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