SCHEMBL4789922

SCHEMBL4789922

N#CC(CC1C2C[N+](CCc3ccc4c(c3)OCO4)(Cc3ccc(Br)cc3)CC12)(c1ccccc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM3 P20309 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 2/20 0.31
HSP90AA1 P07900 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
ACHE P22303 1/20 0.30
FAAH O00519 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL4789954 0.99 CHRM3 (0.34) KDM4ETDP1CHRM3TRPM8MEN1
SCHEMBL4788453 0.87 KDM4E (0.36) KDM4ETDP1CHRM3TRPM8MEN1
SCHEMBL4789357 0.87 POLB (0.35) CHRM3TRPM8POLBHSP90AA1ALDH1A1
SCHEMBL4788458 0.85 CHRM3 (0.38) KDM4ETDP1CHRM3TRPM8MEN1
SCHEMBL4789873 0.84 CHRM3 (0.39) KDM4ETDP1CHRM3TRPM8ALDH1A1
SCHEMBL4789676 0.83 POLB (0.32) TDP1TRPM8MEN1KMT2APOLB
SCHEMBL4788059 0.81 CHRM3 (0.37) CHRM3TRPM8ALDH1A1LMNATSHR
SCHEMBL4789177 0.80 CCR3 (0.33) TRPM8POLBHSP90AA1ALDH1A1TSHR
SCHEMBL4790066 0.80 KDM4E (0.35) KDM4ETDP1CHRM3TRPM8MEN1
SCHEMBL4789938 0.79 KDM4E (0.35) KDM4ECHRM3TRPM8ALDH1A1TSHR

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