SCHEMBL9743262

SCHEMBL9743262

Cc1ccccc1N1CCN(CCC2CNC(=O)O2)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.60
ADRA1B P35368 3/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR1A P08908 2/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9744074 0.88 HTR7 (0.58) HTR7ADRA1BADRA1DADRA1AHTR1A
SCHEMBL9743716 0.87 DAO (0.52) HTR7ADRA1BADRA1DADRA1AHTR1A
SCHEMBL9742212 0.86 HTR7 (0.63) HTR7ADRA1BADRA1DADRA1AHTR1A
SCHEMBL9742158 0.84 HTR7 (0.59) HTR7HTR1A
SCHEMBL9743826 0.81 HTR7 (0.60) HTR7
Maleic Acid SCHEMBL9741885 0.80 HTR7 (0.51) HTR7ADRA1BADRA1DADRA1AHTR1A
Fumaric Acid SCHEMBL9741894 0.80 HTR7 (0.51) HTR7ADRA1BADRA1DADRA1AHTR1A
SCHEMBL9742018 0.80 HTR7 (0.62) HTR7HTR1A
SCHEMBL9742599 0.79 HTR7 (0.61) HTR7ADRA1BADRA1DADRA1AHTR1A
SCHEMBL9743039 0.77 HTR7 (0.57) HTR7ADRA1AHTR1A

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