SCHEMBL9748210

SCHEMBL9748210

CCc1cc(C(=O)NC2CN3CCC2CC3)n2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.53
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
HTR3A P46098 1/20 0.51

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
SCHEMBL9531570 0.82 CHRNA7 (0.52) CHRNA7
SCHEMBL9531310 0.79 CHRNA7 (0.51) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL9531740 0.78 CHRNA7 (0.50) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9748207 0.75 HTR3A (0.53) CHRNB2CHRNA3CHRNA4HTR3A
SCHEMBL30117759 0.74 CHRNA7 (0.53) CHRNA7HTR3A
SCHEMBL6412578 0.72 CHRNA7 (0.64) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7447481 0.71 HTR3A (0.56) HTR3A
SCHEMBL7447489 0.71 HTR3A (0.56) HTR3A
Hydrochloric Acid SCHEMBL7438552 0.70 HTR3A (0.55) HTR3A
SCHEMBL9556827 0.70 CHRM2 (0.57)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254584-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1992-10-07 EP claimed
US-4822795-A Pharmaceutically useful esters and amides BEECHAM GROPUP P.L.C. (GB) 1989-04-18 US claimed
EP-0254584-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1992-10-07 EP disclosed
US-4822795-A Pharmaceutically useful esters and amides BEECHAM GROPUP P.L.C. (GB) 1989-04-18 US disclosed
EP-0254584-A2 Azabicyclic compounds, process for their preparation, and their pharmaceutical use BEECHAM GROUP PLC (GB) 1988-01-27 EP disclosed