SCHEMBL4789357

SCHEMBL4789357

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TSHR P16473 2/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
HSP90AA1 P07900 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CALM1 P0DP23 2/20 0.32
FAAH O00519 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL4788059 0.94 CHRM3 (0.37) TSHRCHRM3ALDH1A1TRPM8TAAR1
SCHEMBL4789938 0.91 KDM4E (0.35) TSHRCHRM3ALDH1A1TRPM8TAAR1
SCHEMBL4789177 0.91 CCR3 (0.33) POLBTSHRALDH1A1TRPM8HSP90AA1
SCHEMBL4789676 0.89 POLB (0.32) POLBTSHRALDH1A1TRPM8HSP90AA1
SCHEMBL4789954 0.88 CHRM3 (0.34) POLBTSHRCHRM3ALDH1A1TRPM8
SCHEMBL4789383 0.87 CHRM3 (0.36) TSHRCHRM3ALDH1A1TRPM8TAAR1
SCHEMBL4789922 0.87 KDM4E (0.35) POLBTSHRCHRM3ALDH1A1TRPM8
SCHEMBL4788452 0.86 TSHR (0.36) TSHRCHRM3ALDH1A1TRPM8TAAR1
SCHEMBL4787715 0.85 CYP1A2 (0.38) TSHRCHRM3ALDH1A1TRPM8TAAR1
SCHEMBL4789923 0.85 CHRM3 (0.39) TSHRCHRM3ALDH1A1TRPM8TAAR1

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