SCHEMBL4789936

SCHEMBL4789936

CCC(C#N)(CC1C2CCC1C[N+](C)(CCc1ccc3c(c1)OCO3)C2)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACHE P22303 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
CALM1 P0DP23 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 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
SCHEMBL4788351 0.91 ALDH1A1 (0.34) CHRM3ALDH1A1TSHRNPSR1ACHE
SCHEMBL4788570 0.89 CHRM3 (0.38) CHRM3ALDH1A1TSHRACHETAAR1
SCHEMBL4789529 0.83 ADRA1A (0.41) CHRM3ALDH1A1TSHRHTR2AHTR2B
SCHEMBL4790238 0.81 ALDH1A1 (0.35) CHRM3ALDH1A1TSHRNPSR1ACHE
SCHEMBL4788471 0.79 CHRM3 (0.37) CHRM3ALDH1A1TSHRHTR2AHTR2C
SCHEMBL4789539 0.79 CHRM3 (0.41) CHRM3TSHRACHEMEN1KMT2A
SCHEMBL4789676 0.79 POLB (0.32) ALDH1A1TSHRNPSR1HTR2AHTR2C
SCHEMBL4757548 0.77 CHRM3 (0.46) CHRM3CHRM2CHRM1
SCHEMBL4789432 0.77 ADRA1D (0.42) ALDH1A1TSHRKDM4EMAPK1MEN1
SCHEMBL4789873 0.76 CHRM3 (0.39) CHRM3ALDH1A1TSHRACHEHTR2A

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