SCHEMBL19984510

SCHEMBL19984510

COC(=O)c1ccc(COc2cccc(C(NC(=O)O)c3ccccc3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.64
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
MAOB P27338 1/20 0.47
POLB P06746 1/20 0.47
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
F7 P08709 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL15783775 0.90 CHRM3 (0.60) CHRM3KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL19984429 0.90 CHRM3 (0.62) CHRM3KMT2ASMN1; SMN2MEN1RAB9A
SCHEMBL20373866 0.90 CHRM3 (0.62) CHRM3KMT2ASMN1; SMN2MEN1RAB9A
SCHEMBL15768180 0.87 CHRM3 (0.63) CHRM3KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL14166011 0.87 CHRM3 (0.63) CHRM3KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL15777842 0.85 SMPD1 (0.55) CHRM3KMT2ASMN1; SMN2MEN1MAOB
SCHEMBL15777839 0.85 SMPD1 (0.55) CHRM3KMT2ASMN1; SMN2MEN1MAOB
SCHEMBL14240960 0.85 KMT2A (0.58) CHRM3KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL14240961 0.84 KMT2A (0.55) CHRM3KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL15783778 0.84 KMT2A (0.57) CHRM3KMT2ASMN1; SMN2MEN1MAPT

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
EP-3345904-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-07-29 EP disclosed
EP-2928889-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-03-21 EP disclosed