SCHEMBL11301932

SCHEMBL11301932

CC(C)C(=O)Oc1ccc(C#N)cc1CCCc1cccc(N(C(C)C)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
MRGPRX4 Q96LA9 4/20 0.36
ALOX15 P16050 1/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CETP P11597 1/20 0.35
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAOB P27338 1/20 0.33
HTR2B P41595 1/20 0.33
GLA P06280 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
SCHEMBL725536 0.85 PTGER1 (0.43) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL1158253 0.85 CHRM2 (0.45) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL724700 0.84 ADRB2 (0.39) ADRB2ADRA2ADRD2ADRA2CDRD1
Hydrochloric Acid SCHEMBL16166428 0.84 CHRM2 (0.45) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL7755007 0.84 ADRB2 (0.41) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL3772824 0.82 ADRB2 (0.40) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL11295519 0.82 HTR2B (0.39) ALOX15MAOBHTR2BGLA
SCHEMBL434111 0.76 PTGER1 (0.42) RAB9APTGER1
SCHEMBL11301929 0.76 CHRM2 (0.43) MRGPRX4ALOX15PPARDPPARACHRM2
SCHEMBL7755565 0.74 SLC6A2 (0.41) ADRB2RAB9A

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