SCHEMBL9742158

SCHEMBL9742158

O=C1NCC(CCN2CCN(c3ccccc3)CC2)O1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.59
KCNH2 Q12809 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
HTR1A P08908 4/20 0.48
CYP2D6 P10635 1/20 0.48
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SIGMAR1 Q99720 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
SCHEMBL9743826 0.87 HTR7 (0.60) HTR7DRD4
SCHEMBL9743039 0.87 HTR7 (0.57) HTR7DRD4DRD3HTR1ASIGMAR1
SCHEMBL9742796 0.87 HTR7 (0.49) HTR7DRD4DRD3HTR1A
SCHEMBL9743262 0.84 HTR7 (0.60) HTR7HTR1A
SCHEMBL9744074 0.84 HTR7 (0.58) HTR7DRD3HTR1A
SCHEMBL9743543 0.83 HTR7 (0.57) HTR7KCNH2DRD3HTR1ASIGMAR1
SCHEMBL9743716 0.83 DAO (0.52) HTR7DRD3HTR1ACYP2D6ALDH1A1
SCHEMBL9742018 0.83 HTR7 (0.62) HTR7KCNH2DRD4DRD3HTR1A
Maleic Acid SCHEMBL9742763 0.82 RAB9A (0.51) HTR7KCNH2DRD4DRD3HTR1A
Fumaric Acid SCHEMBL9742766 0.82 RAB9A (0.51) HTR7KCNH2DRD4DRD3HTR1A

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