SCHEMBL9195484

SCHEMBL9195484

O=C1[C@@H](O)CCN1CC#CCN1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.66
CHRM4 P08173 6/20 0.66
CHRM5 P08912 6/20 0.66
CHRM1 P11229 6/20 0.66
CHRM3 P20309 6/20 0.66
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL9190927 1.00 CHRM2 (0.66) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9190938 1.00 CHRM2 (0.66) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10395592 0.98 CHRM2 (0.64) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10395548 0.98 CHRM2 (0.64) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9194808 0.98 CHRM2 (0.64) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9193255 0.79 CHRM2 (0.66) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9193267 0.79 CHRM2 (0.66) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8847710 0.79 CHRM2 (0.66) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8948420 0.79 CHRM2 (0.66) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10394827 0.79 CHRM2 (0.65) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4937235-A Anticholinergic agents AMERICAN CYANAMID COMPANY (US) 1990-06-26 US claimed
EP-0381984-B1 3- or 4-substituted oxotremorine derivatives AMERICAN CYANAMID CO (US) 1995-04-19 EP disclosed
US-5089518-A 3- or 4-substituted oxotremorine derivatives and a method of treating cholinergic dysfunction therewith AMERICAN CYANAMID COMPANY (US) 1992-02-18 US disclosed
US-4952600-A TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMERICAN CYANAMID COMPANY (US) 1990-08-28 US disclosed
EP-0381984-A1 3- or 4-substituted oxotremorine derivatives AMERICAN CYANAMID COMPANY (US) 1990-08-16 EP disclosed
US-4937235-A Anticholinergic agents AMERICAN CYANAMID COMPANY (US) 1990-06-26 US disclosed