SCHEMBL11301929

SCHEMBL11301929

CC[C@H](c1cccc(N(C(C)C)C(C)C)c1)c1cc(C#N)ccc1OC(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
MGLL Q99685 6/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.35
CTSA P10619 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.34
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
KCNA5 P22460 2/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 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
SCHEMBL725534 0.85 CHRM2 (0.46) CHRM2CHRM1CTSAKMT2AALOX15
SCHEMBL724698 0.85 CHRM2 (0.45) CHRM2CHRM1ALOX15
SCHEMBL4659057 0.84 CHRM2 (0.62) CHRM2CHRM1CTSAKMT2AALOX15
SCHEMBL1158251 0.84 CHRM2 (0.62) CHRM2CHRM1CTSAKMT2AALOX15
SCHEMBL7754999 0.83 CHRM2 (0.51) CHRM2CHRM1KMT2AALOX15
Hydrochloric Acid SCHEMBL16166361 0.83 CHRM2 (0.61) CHRM2CHRM1CTSAKMT2AALOX15
SCHEMBL11301930 0.78 CHRM2 (0.71) CHRM2CHRM1MGLLPTGDR2ALOX15
SCHEMBL16166441 0.76 CHRM2 (0.55) CHRM2CHRM1KMT2AALOX15
SCHEMBL11301932 0.76 ADRB2 (0.38) CHRM2CHRM1PTGDR2MRGPRX4ALOX15
SCHEMBL5088989 0.73 ALOX15 (0.41) CHRM2CHRM1KMT2AALOX15

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