SCHEMBL8107540

SCHEMBL8107540

CCc1cc([C@H]2CCCN2)on1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.45
CHRM5 P08912 5/20 0.45
CHRM3 P20309 5/20 0.45
CHRM4 P08173 4/20 0.45
CHRM1 P11229 4/20 0.45
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNA1 P02708 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 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
SCHEMBL8113248 1.00 CHRM2 (0.45) CHRM2CHRM5CHRM3CHRM4CHRM1
Oxalic Acid SCHEMBL8106050 0.92 CHRNB2 (0.39) CHRM2CHRM5CHRM3CHRM4CHRM1
Oxalic Acid SCHEMBL8119281 0.92 CHRNB2 (0.39) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL8121403 0.88 CHRM2 (0.43) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL8104421 0.85 CHRM2 (0.41) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL3853785 0.80 CHRM2 (0.51) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL164422 0.80 CHRM2 (0.51) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL8114272 0.80 CHRM2 (0.51) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL8105457 0.78 ALDH1A1 (0.47) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL3920096 0.76 CHRNB2 (0.39) CHRM2CHRM5CHRM3CHRM4CHRM1

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-0588917-B1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LAB (US) 2000-11-08 EP disclosed
US-5409946-A Antiepileptic agent ABBOTT LABORATORIES (US) 1995-04-25 US disclosed
EP-0588917-A4 1994-04-13 EP disclosed
EP-0588917-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
WO-1992021339-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1992-12-10 WO disclosed