SCHEMBL9531310

SCHEMBL9531310

CCc1nc(C(=O)NC2CN3CCC2CC3)c2ccccn12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.51
HTR3A P46098 2/20 0.51
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
HTR4 Q13639 1/20 0.48

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
Hydrochloric Acid SCHEMBL9531740 0.99 CHRNA7 (0.50) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL9748210 0.79 CHRNA7 (0.53) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL9531570 0.78 CHRNA7 (0.52) CHRNA7
SCHEMBL9532171 0.76 HTR4 (0.59) HTR3ACHRNB2CHRNA3CHRNA4HTR4
SCHEMBL7329253 0.74 CNR2 (0.45) HTR4
SCHEMBL1567298 0.73 HTR3A (0.60) CHRNA7HTR3ACHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL7299025 0.71 CHRNA7 (0.52) CHRNA7HTR3AHTR4
SCHEMBL7301916 0.71 CHRNA7 (0.51) CHRNA7
SCHEMBL492411 0.70 CHRNA7 (0.58) CHRNA7HTR3A
SCHEMBL30117759 0.70 CHRNA7 (0.53) CHRNA7HTR3A

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
EP-0289170-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1993-06-23 EP claimed
EP-0289170-A2 Azabicyclic compounds, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-11-02 EP claimed