SCHEMBL4789935

SCHEMBL4789935

C=CC[N+]1(CCc2ccc3c(c2)OCO3)CC2C(CC(C(N)=O)(c3ccccc3)c3ccccc3)C2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.38
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 3/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
NSD2 O96028 1/20 0.35
RAD52 P43351 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN11 Q06124 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4789834 0.89 TRPM8 (0.39) TRPM8ALDH1A1HTTKDM4ESIRT2
SCHEMBL4789846 0.89 TRPM8 (0.39) TRPM8ALDH1A1HTTKDM4ESIRT2
SCHEMBL4790480 0.85 TRPM8 (0.41) TRPM8CYP1A2CYP3A4ALDH1A1HTT
SCHEMBL4787715 0.84 CYP1A2 (0.38) TRPM8CYP1A2CYP3A4MAPTALDH1A1
SCHEMBL4788453 0.80 KDM4E (0.36) TRPM8CYP1A2CYP3A4MAPTALDH1A1
SCHEMBL4790212 0.78 MAPT (0.36) TRPM8CYP1A2CYP3A4MAPTALDH1A1
SCHEMBL4789858 0.77 ADRA1A (0.47) TRPM8ALDH1A1KDM4ESIRT2SIRT1
SCHEMBL4790066 0.76 KDM4E (0.35) TRPM8CYP1A2CYP3A4MAPTALDH1A1
SCHEMBL4789932 0.74 TRPM8 (0.39) TRPM8ALDH1A1HTTKDM4ESIRT2
SCHEMBL4788059 0.73 CHRM3 (0.37) TRPM8ALDH1A1HPGDLMNATAAR1

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