SCHEMBL8847925

SCHEMBL8847925

CCOC(=O)C(C)CCNCC#CCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.36
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM3 P20309 3/20 0.36
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL24200475 0.77 GAA (0.38) MEN1GAAKMT2ASMN1; SMN2TRPM8
SCHEMBL19441166 0.71 GAA (0.39) MEN1GAAKMT2ASMN1; SMN2TRPM8
SCHEMBL14616914 0.70 ALDH1A1 (0.48) MEN1GAAKMT2ACYP3A4CYP2C19
SCHEMBL7876820 0.70 GAA (0.38) MEN1GAAKMT2ASMN1; SMN2TRPM8
SCHEMBL22540087 0.68 CYP3A4 (0.35) MEN1GAAKMT2ACHRNB2CHRNB4
SCHEMBL6742890 0.67 CPB2 (0.42) MEN1GAAKMT2ASMN1; SMN2CYP3A4
SCHEMBL10398577 0.67 ALDH1A1 (0.44) MEN1GAAKMT2ASMN1; SMN2CYP3A4
SCHEMBL7879761 0.67 GABRR1 (0.54) MEN1GAAKMT2ACYP3A4CYP2C19
SCHEMBL11668486 0.67 ALDH1A1 (0.40) CHRM1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL9521411 0.67 ALDH1A1 (0.44) MEN1GAAKMT2ASMN1; SMN2CYP3A4

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