SCHEMBL9631368

SCHEMBL9631368

c1ccc(N2CCN(CCCCc3ccncc3)CC2)nc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.78
DRD2 P14416 8/20 0.77
DRD3 P35462 8/20 0.77
HTR1A P08908 7/20 0.77
HTR2A P28223 6/20 0.77
HTR7 P34969 5/20 0.77
DRD4 P21917 4/20 0.77
DRD1 P21728 4/20 0.77
DRD5 P21918 3/20 0.77
ADRA2C P18825 2/20 0.77
HRH1 P35367 2/20 0.77
HTR2C P28335 2/20 0.66
KCNH2 Q12809 2/20 0.65
SLC6A4 P31645 1/20 0.58
SIGMAR1 Q99720 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
SCHEMBL15961344 0.92 POLB (0.92) POLBDRD2DRD3HTR1AHTR2A
SCHEMBL15961309 0.87 POLB (1.00) POLBDRD2DRD3HTR1AHTR2A
SCHEMBL27237006 0.87 HTR1A (1.00) POLBDRD2DRD3HTR1AHTR2A
SCHEMBL27236997 0.87 DRD3 (1.00) POLBDRD2DRD3HTR1AHTR2A
SCHEMBL9632489 0.86 POLB (0.72) POLBDRD2DRD3HTR1AHTR2A
SCHEMBL4519313 0.85 KCNH2 (0.85) POLBDRD2DRD3HTR1AHTR2A
SCHEMBL26107525 0.85 KCNH2 (0.85) POLBDRD2DRD3HTR1AHTR2A
SCHEMBL26108725 0.85 KCNH2 (0.85) POLBDRD2DRD3HTR1AHTR2A
SCHEMBL9633099 0.85 HTR1A (0.75) POLBDRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL26108256 0.84 KCNH2 (0.83) POLBDRD2DRD3HTR1AHTR2A

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