SCHEMBL8948398

SCHEMBL8948398

CCNC(=O)OC1CCN(CC#CCN2CCCC2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.53
CHRM4 P08173 6/20 0.53
CHRM5 P08912 6/20 0.53
CHRM1 P11229 6/20 0.53
CHRM3 P20309 6/20 0.53
EPHX1 P07099 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL8948392 1.00 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8948441 1.00 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8948468 0.88 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8948440 0.88 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8948443 0.88 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9300516 0.87 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9300519 0.87 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8948408 0.86 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8948405 0.86 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8948414 0.86 CHRM2 (0.50) 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
US-5550257-A TREATING CENTRAL CHOLINERGIC DYSFUNCTION AMERICAN CYANAMID COMPANY (US) 1996-08-27 US claimed