SCHEMBL8711729

SCHEMBL8711729

B.OCC=C1CN2CCC1CC2

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.50
CHRNA4 P43681 3/20 0.50
CHRNA3 P32297 4/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNB4 P30926 2/20 0.44

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
SCHEMBL10916062 0.69 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL3206683 0.69 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL3217847 0.69 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Hydrochloric Acid SCHEMBL10913507 0.68 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Hydrochloric Acid SCHEMBL10913504 0.68 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL4278182 0.68 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL4278185 0.68 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL9217892 0.68 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL9217890 0.68 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL10916010 0.67 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4

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-5830902-A SQUALENE SYNTHASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-03 US disclosed
EP-0812840-A1 NOVEL QUINUCLIDINE DERIVATIVES HAVING TRICYCLIC FUSED HETERO RING YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-12-17 EP disclosed