SCHEMBL4789014

SCHEMBL4789014

CC(C)=CCC[N+]1(Cc2ccc(Br)cc2)CC2C(CC(C#N)(c3ccccc3)c3ccccc3)C2C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.37
CHRM2 P08172 4/20 0.35
CHRM1 P11229 4/20 0.35
KCNA3 P22001 1/20 0.32

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
SCHEMBL4789717 0.93 CHRM3 (0.43) CHRM3CHRM2CHRM1KCNA3
SCHEMBL4789531 0.90 CHRM3 (0.37) CHRM3CHRM2CHRM1KCNA3
SCHEMBL4788465 0.89 CHRM3 (0.32) CHRM3
SCHEMBL4789739 0.82 CHRM3 (0.36) CHRM3CHRM2CHRM1
SCHEMBL4790484 0.80 CHRM3 (0.42) CHRM3CHRM2CHRM1KCNA3
SCHEMBL4789357 0.76 POLB (0.35) CHRM3
SCHEMBL4757731 0.71 KCNA3 (0.45) CHRM3CHRM2CHRM1KCNA3
SCHEMBL4788059 0.69 CHRM3 (0.37) CHRM3
SCHEMBL4789918 0.69 CHRM3 (0.36) CHRM3CHRM2CHRM1
SCHEMBL4789676 0.68 POLB (0.32)

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