SCHEMBL9752304

SCHEMBL9752304

CC(C)(C)OC(=O)N1CCCC[C@@H]1C#CCO

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.48
CHRM4 P08173 12/20 0.48
CHRM5 P08912 12/20 0.48
CHRM1 P11229 12/20 0.48
CHRM3 P20309 12/20 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
SCHEMBL9752373 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9752515 0.96 HSD17B10 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28657451 0.89 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9022485 0.84 CHRM2 (0.67) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9022489 0.84 CHRM2 (0.67) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10082580 0.82 HPGD (0.50)
SCHEMBL15317053 0.82 HPGD (0.50)
SCHEMBL525478 0.82 HPGD (0.50)
SCHEMBL9752320 0.81 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9752355 0.81 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3

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
WO-1991000724-A1 ALKYNYL AMINES THAT REGULATE CHOLINERGIC NEUROTRANSMISSION ABBOTT LABORATORIES (US) 1991-01-24 WO disclosed