SCHEMBL8847720

SCHEMBL8847720

CS[C@H]1CCN(CC#CCN2CCCC2)C1=O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.65
CHRM4 P08173 7/20 0.65
CHRM5 P08912 7/20 0.65
CHRM1 P11229 7/20 0.65
CHRM3 P20309 7/20 0.65
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL8847729 1.00 CHRM2 (0.65) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10395595 0.89 CHRM2 (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL9192585 0.88 CHRM2 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9728616 0.86 CHRM2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10395608 0.82 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10395609 0.82 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10396161 0.81 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10396162 0.81 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8848052 0.76 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9193255 0.76 CHRM2 (0.66) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637731-A CHOLINERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-06-10 US disclosed
US-5550257-A TREATING CENTRAL CHOLINERGIC DYSFUNCTION AMERICAN CYANAMID COMPANY (US) 1996-08-27 US disclosed
US-5451685-A MANUFACTURING PHARMACEUTICALS AMERICAN CYANAMID COMPANY (US) 1995-09-19 US disclosed
US-5356885-A Cholinergic agents; administering for treatment of diseases of the central nervous system AMERICAN CYANAMID COMPANY (US) 1994-10-18 US disclosed
EP-0510333-A1 Substituted oxotremorine derivatives AMERICAN CYANAMID COMPANY (US) 1992-10-28 EP disclosed