SCHEMBL4789834

SCHEMBL4789834

NC(=O)C(CC1C2C[N+](CCc3ccc4c(c3)OCO4)(Cc3ccccc3)CC12)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
ACHE P22303 1/20 0.37
CALM1 P0DP23 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.37
RAD52 P43351 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN11 Q06124 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 1/20 0.36

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
SCHEMBL4789846 0.91 TRPM8 (0.39) TRPM8SIRT2SIRT1NPC1HPGD
SCHEMBL4789935 0.89 TRPM8 (0.38) TRPM8SIRT2SIRT1NPC1HPGD
SCHEMBL4790480 0.87 TRPM8 (0.41) TRPM8SIRT2SIRT1NPC1HPGD
SCHEMBL4788059 0.82 CHRM3 (0.37) TRPM8HPGDLMNACALM1SIGMAR1
SCHEMBL4789858 0.79 ADRA1A (0.47) TRPM8SIRT2SIRT1SIGMAR1ALDH1A1
SCHEMBL4790238 0.79 ALDH1A1 (0.35) TRPM8ACHECALM1ALDH1A1TSHR
SCHEMBL4789357 0.78 POLB (0.35) TRPM8CALM1SIGMAR1ALDH1A1TSHR
SCHEMBL4789938 0.78 KDM4E (0.35) TRPM8ACHEALDH1A1KDM4ETSHR
SCHEMBL4788452 0.76 TSHR (0.36) TRPM8ACHECALM1SIGMAR1ALDH1A1
SCHEMBL4789932 0.76 TRPM8 (0.39) TRPM8SIRT2SIRT1NPC1HPGD

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