SCHEMBL11297464

SCHEMBL11297464

C=C(C)C(=O)Oc1ccc(CO)cc1[C@H](CC)c1cccc(N(C(C)C)C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CTSA P10619 4/20 0.32
CFD P00746 1/20 0.32
ELANE P08246 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
SCHEMBL4659057 0.88 CHRM2 (0.62) CHRM2CHRM1CYP4F2CYP4A11CTSA
SCHEMBL1158251 0.88 CHRM2 (0.62) CHRM2CHRM1CYP4F2CYP4A11CTSA
SCHEMBL11304166 0.87 TTR (0.40) CHRM2CHRM1ELANE
SCHEMBL4661558 0.87 CHRM2 (0.48) CHRM2CHRM1CYP4F2CYP4A11CTSA
Hydrochloric Acid SCHEMBL16166361 0.87 CHRM2 (0.61) CHRM2CHRM1CYP4F2CYP4A11CTSA
SCHEMBL11292328 0.87 TTR (0.40) CHRM2CHRM1ELANE
SCHEMBL4659036 0.87 CHRM2 (0.51) CHRM2CHRM1CYP4F2CYP4A11
SCHEMBL4660409 0.87 CHRM2 (0.51) CHRM2CHRM1CYP4F2CYP4A11
SCHEMBL4398908 0.86 CHRM2 (0.48) CHRM2CHRM1CYP4F2CYP4A11CTSA
SCHEMBL4660254 0.85 CHRM2 (0.46) CHRM2CHRM1CYP4F2CYP4A11CTSA

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-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO claimed
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO disclosed