SCHEMBL9742018

SCHEMBL9742018

O=C1NCC(CCN2CCN(c3ccccn3)CC2)O1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.62
POLB P06746 1/20 0.52
KCNH2 Q12809 1/20 0.52
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
HTR2C P28335 3/20 0.50
HTR1A P08908 2/20 0.50
DRD4 P21917 2/20 0.50
HTR2A P28223 2/20 0.50

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
SCHEMBL9742158 0.83 HTR7 (0.59) HTR7KCNH2DRD3HTR1ADRD4
SCHEMBL9745021 0.80 HTR7 (0.64) HTR7POLBDRD2DRD3HTR2C
SCHEMBL9743262 0.80 HTR7 (0.60) HTR7HTR1A
SCHEMBL9744074 0.80 HTR7 (0.58) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL9743716 0.79 DAO (0.52) HTR7POLBDRD2DRD3HTR1A
SCHEMBL16150983 0.77 HTR7 (1.00) HTR7
SCHEMBL9742212 0.76 HTR7 (0.63) HTR7DRD2DRD3HTR2CHTR1A
Hydrochloric Acid SCHEMBL16151313 0.76 HTR7 (0.98) HTR7
SCHEMBL16149726 0.76 HTR7 (1.00) HTR7
SCHEMBL13711971 0.76 KCNH2 (0.71) HTR7POLBKCNH2DRD2DRD3

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-5086055-A Treating asthma, rhinitis, atopic dermatitis, chronic hives and conjunctivitis A. H. ROBINS COMPANY, INCORPORATED (US) 1992-02-04 US disclosed