SCHEMBL15095412

SCHEMBL15095412

CCC[N+]1(C)C2CCC1CC(OC(=O)C(C)c1ccccc1)C2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.56
CHRM1 P11229 4/20 0.56
PABPC1 P11940 2/20 0.56
CHRM5 P08912 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CHRM4 P08173 2/20 0.56
CHRM3 P20309 2/20 0.56
TSHR P16473 2/20 0.56
BLM P54132 1/20 0.55
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CHRNA7 P36544 2/20 0.53
CYP2D6 P10635 1/20 0.49
KCNH2 Q12809 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
SCHEMBL14652328 0.86 CHRM2 (0.77) CHRM2CHRM1PABPC1CHRM5MEN1
SCHEMBL14507225 0.76 CHRM2 (0.80) CHRM2CHRM1PABPC1CHRM5MEN1
SCHEMBL4297790 0.73 CYP19A1 (0.70) CHRM2CHRM1PABPC1CHRM5MEN1
SCHEMBL16517900 0.73 CYP19A1 (0.70) CHRM2CHRM1PABPC1CHRM5MEN1
SCHEMBL23494999 0.73 CYP2D6 (0.76) CHRM2CHRM1CHRM5MEN1KMT2A
SCHEMBL22394824 0.73 CYP2D6 (0.76) CHRM2CHRM1CHRM5MEN1KMT2A
SCHEMBL22394825 0.73 CYP2D6 (0.76) CHRM2CHRM1CHRM5MEN1KMT2A
SCHEMBL22394823 0.73 CYP2D6 (0.76) CHRM2CHRM1CHRM5MEN1KMT2A
SCHEMBL19136281 0.73 CYP2D6 (0.76) CHRM2CHRM1CHRM5MEN1KMT2A
SCHEMBL23494998 0.73 CYP2D6 (0.76) CHRM2CHRM1CHRM5MEN1KMT2A

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-8481518-B2 Quaternary antimuscarinic compounds for the treatment of bladder diseases UNIVERSITY OF ROCHESTER (US) 2013-07-09 US disclosed