SCHEMBL9631347

SCHEMBL9631347

O=C(CCCN1CCN(c2ccccn2)CC1)c1ccncc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.79
DRD4 P21917 8/20 0.79
HTR2A P28223 7/20 0.79
DRD3 P35462 7/20 0.79
HTR7 P34969 6/20 0.79
DRD2 P14416 6/20 0.79
HTR2C P28335 6/20 0.79
TMEM97 Q5BJF2 2/20 0.79
SIGMAR1 Q99720 2/20 0.79
LMNA P02545 1/20 0.79
CYP1A2 P05177 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2D6 P10635 1/20 0.79
CYP2C9 P11712 1/20 0.79
CYP2C19 P33261 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
HRH3 Q9Y5N1 4/20 0.61
ADRA2C P18825 1/20 0.59
HRH1 P35367 1/20 0.59
POLB P06746 1/20 0.56

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
Azaperone SCHEMBL121134 0.88 DRD4 (1.00) HTR1ADRD4HTR2ADRD3HTR7
SCHEMBL12436913 0.88 DRD4 (0.79) HTR1ADRD4HTR2ADRD3HTR7
Azaperone SCHEMBL29437229 0.88 DRD4 (1.00) HTR1ADRD4HTR2ADRD3HTR7
SCHEMBL9631680 0.87 HTR1A (0.71) HTR1ADRD4HTR2ADRD3HTR7
SCHEMBL9633626 0.86 HTR1A (0.77) HTR1ADRD4HTR2ADRD3HTR7
SCHEMBL6351416 0.85 HTR1A (1.00) HTR1ADRD4HTR2ADRD3HTR7
SCHEMBL3674700 0.83 HTR1A (0.72) HTR1ADRD4HTR2ADRD3HTR7
Azaperone SCHEMBL3087530 0.82 DRD4 (0.86) HTR1ADRD4HTR2ADRD3HTR7
SCHEMBL9631705 0.81 HTR1A (0.66) HTR1ADRD4HTR2ADRD3HTR7
SCHEMBL27237004 0.81 DRD3 (1.00) HTR1ADRD4HTR2ADRD3HTR7

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