SCHEMBL4757574

SCHEMBL4757574

CCOC(=O)C(CC1C2CN(Cc3ccccc3)CC21)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.44
CACNA1G O43497 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL4617489 0.86 CHRM3 (0.41) CHRM3S1PR1S1PR5CHRM2CHRM1
SCHEMBL4757732 0.85 S1PR5 (0.47) CHRM3S1PR1S1PR5LMNAALDH1A1
SCHEMBL4756802 0.83 CHRM3 (0.47) CHRM3S1PR1S1PR5CHRM2
SCHEMBL25358242 0.79 SIGMAR1 (0.54) ATML3MBTL1S1PR1S1PR5MAPK1
SCHEMBL25358239 0.79 SIGMAR1 (0.54) ATML3MBTL1S1PR1S1PR5MAPK1
SCHEMBL19971674 0.76 ALDH1A1 (0.55) ATML3MBTL1S1PR1S1PR5MAPK1
SCHEMBL18517409 0.76 ALDH1A1 (0.55) ATML3MBTL1S1PR1S1PR5MAPK1
SCHEMBL8922062 0.76 ALDH1A1 (0.55) ATML3MBTL1S1PR1S1PR5MAPK1
SCHEMBL4617491 0.75 CHRM3 (0.48) CHRM3S1PR1S1PR5BCHEACHE
SCHEMBL13102892 0.74 HTR4 (0.49) ATML3MBTL1S1PR1S1PR5MAPK1

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