SCHEMBL4758026

SCHEMBL4758026

CCC(CC1C2CCC1C[N+](C)(Cc1ccccc1)C2)(C(N)=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RGS12 O14924 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CHRM3 P20309 5/20 0.38
HTT P42858 1/20 0.36
CHRM2 P08172 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
RAB9A P51151 1/20 0.34
ACHE P22303 7/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4755473 0.79 GRIN2B (0.40) GAA
SCHEMBL4757548 0.75 CHRM3 (0.46) CHRM3CHRM2CHRM1
SCHEMBL4755434 0.70 CHRM3 (0.41) CHRM3CHRM2CHRM1KCNH2
SCHEMBL431187 0.70 HTT (0.59) CHRM3HTTCHRM2LMNACYP2D6
SCHEMBL4560569 0.69 HTT (0.51) HTTMAPTKMT2A
SCHEMBL3226891 0.69 CHRM3 (0.47) CHRM3CHRM2LMNACYP2D6CHRM1
SCHEMBL27927747 0.69 HTT (0.54) CHRM3HTTCHRM2LMNACYP2D6
SCHEMBL12918262 0.68 ACHE (0.41) CHRM3CHRM2CHRM1KCNH2RAB9A
SCHEMBL3214855 0.68 KEAP1 (0.46) CHRM3CHRM2CYP2D6CHRM1HRH1
SCHEMBL3224624 0.68 POLB (0.52) CHRM3HTTCHRM2CYP2D6CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 WO claimed
WO-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 WO disclosed