SCHEMBL9265646

SCHEMBL9265646

Cc1cc([C@@H]2CCCCN2)on1

nearest known ligand 0.90

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.48
CHRNB4 P30926 3/20 0.48
CHRNA3 P32297 3/20 0.48
CHRNA4 P43681 3/20 0.48
CHRNA7 P36544 1/20 0.46
CHRM2 P08172 3/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
CHRNA5 P30532 1/20 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
SCHEMBL9261614 1.00 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL9268819 0.98 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL9263385 0.98 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL9257279 0.98 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL8114272 0.95 CHRM2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3853785 0.95 CHRM2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL164422 0.95 CHRM2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
Oxalic Acid SCHEMBL8104972 0.86 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
Oxalic Acid SCHEMBL8114514 0.86 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL9265217 0.86 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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-5409946-A Antiepileptic agent ABBOTT LABORATORIES (US) 1995-04-25 US disclosed