SCHEMBL4789923

SCHEMBL4789923

N#CC(CC1C2C[N+](CCc3ccc4c(c3)OCO4)(CC3CC3)CC12)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.39
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
CALM1 P0DP23 1/20 0.33
CTSL P07711 1/20 0.33

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 0.89 CHRM3 (0.37) CHRM3ALDH1A1TSHRTAAR1TRPM8
SCHEMBL4789383 0.89 CHRM3 (0.36) CHRM3CHRM2CHRM1ALDH1A1TSHR
SCHEMBL4787715 0.87 CYP1A2 (0.38) CHRM3CHRM2CHRM1ALDH1A1TSHR
SCHEMBL4789938 0.85 KDM4E (0.35) CHRM3ALDH1A1TSHRTAAR1TRPM8
SCHEMBL4789357 0.85 POLB (0.35) CHRM3ALDH1A1TSHRTAAR1TRPM8
SCHEMBL4788471 0.85 CHRM3 (0.37) CHRM3CHRM2CHRM1ALDH1A1TSHR
SCHEMBL4788452 0.81 TSHR (0.36) CHRM3ALDH1A1TSHRTAAR1TRPM8
SCHEMBL4790212 0.79 MAPT (0.36) CHRM3ALDH1A1TSHRTAAR1TRPM8
SCHEMBL4788570 0.79 CHRM3 (0.38) CHRM3CHRM2CHRM1ALDH1A1TSHR
SCHEMBL4790238 0.78 ALDH1A1 (0.35) CHRM3ALDH1A1TSHRTAAR1TRPM8

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