SCHEMBL4788488

SCHEMBL4788488

N#CC(CC1C2CCC1CN(CCc1ccc3c(c1)OCO3)C2)(c1ccccc1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ADRA1A P35348 3/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
ADRB2 P07550 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
KCNE1 P15382 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL4789955 0.86 TSHR (0.42) CHRM3KDM4EMEN1KMT2AMAPK1
SCHEMBL4789529 0.82 ADRA1A (0.41) CHRM3KDM4EMEN1KMT2AMAPK1
SCHEMBL4788458 0.78 CHRM3 (0.38) CHRM3KDM4EMEN1KMT2AMAPK1
SCHEMBL4789694 0.78 CHRM3 (0.48) CHRM3KDM4EMEN1KMT2AMAPK1
SCHEMBL4757759 0.78 CCR1 (0.43) CHRM3CHRM1CHRM2DRD2
SCHEMBL4789873 0.77 CHRM3 (0.39) CHRM3KDM4EMAPK1TDP1ALDH1A1
SCHEMBL4789381 0.77 ALDH1A1 (0.44) CHRM3KDM4EMEN1KMT2AMAPK1
SCHEMBL4789352 0.77 TSHR (0.47) KDM4EMEN1KMT2ATSHRDRD2
SCHEMBL4788453 0.76 KDM4E (0.36) CHRM3KDM4EMEN1KMT2ATDP1
SCHEMBL4193585 0.75 CHRM3 (0.51) CHRM3ALDH1A1ADRA1ACHRM5CHRM1

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