SCHEMBL4789918

SCHEMBL4789918

CCC(C#N)(CC1C2C[N+](C)(CCC=C(C)C)CC12)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.36
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
CCR1 P32246 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
SCHEMBL4790484 0.87 CHRM3 (0.42) CHRM3CHRM2CHRM1
SCHEMBL4789739 0.86 CHRM3 (0.36) CHRM3CHRM2CHRM1CCR1
SCHEMBL4788465 0.82 CHRM3 (0.32) CHRM3
SCHEMBL4756799 0.80 CHRM3 (0.38) CHRM3CHRM2CHRM1CCR1
SCHEMBL4788327 0.77 CHRM3 (0.46) CHRM3CHRM2CHRM1
SCHEMBL4788351 0.73 ALDH1A1 (0.34) CHRM3
SCHEMBL4789717 0.72 CHRM3 (0.43) CHRM3CHRM2CHRM1
SCHEMBL4789531 0.71 CHRM3 (0.37) CHRM3CHRM2CHRM1CCR1
SCHEMBL4757548 0.69 CHRM3 (0.46) CHRM3CHRM2CHRM1CCR1
SCHEMBL4789014 0.69 CHRM3 (0.37) CHRM3CHRM2CHRM1

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