SCHEMBL10554244

SCHEMBL10554244

Oc1cccc2c1CC(N1CCN(c3ncccn3)CC1)CC2

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.70
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
CHRM3 P20309 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
GRIN2B Q13224 1/20 0.42
HTR1A P08908 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 1/20 0.39
TSHR P16473 1/20 0.39
HTR1D P28221 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL10553070 0.83 HTR7 (0.48) HTR7CHRM3CHRM2CHRM1DRD2
Hydrochloric Acid SCHEMBL10549381 0.82 HTR7 (0.47) HTR7CHRM3CHRM2CHRM1DRD2
SCHEMBL9727223 0.81 HTR7 (0.71) HTR7CHRM3CHRM2CHRM1HTR1A
SCHEMBL11072209 0.80 HTR7 (0.69) HTR7CHRM3CHRM2CHRM1HTR1A
SCHEMBL7932835 0.80 HTR7 (0.69) HTR7CHRM3CHRM2CHRM1HTR1A
Hydrochloric Acid SCHEMBL7926756 0.79 HTR7 (0.67) HTR7CHRM3CHRM2CHRM1HTR1A
SCHEMBL13533347 0.78 HTR7 (0.66) HTR7CHRM3CHRM2CHRM1HTR1A
SCHEMBL13533345 0.78 HTR7 (0.66) HTR7CHRM3CHRM2CHRM1HTR1A
SCHEMBL13533346 0.78 HTR7 (0.70) HTR7CHRM3CHRM2CHRM1HTR1A
SCHEMBL13533343 0.78 HTR7 (0.70) HTR7CHRM3CHRM2CHRM1HTR1A

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-4845221-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-07-04 US claimed
US-4845221-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-07-04 US disclosed