SCHEMBL19984492

SCHEMBL19984492

CNC(c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCOc3ccc(C=O)cc3C)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.42
MAOA P21397 5/20 0.41
MAOB P27338 5/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
S1PR1 P21453 1/20 0.37
FFAR1 O14842 1/20 0.37
ALOX5 P09917 1/20 0.37
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 1/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL22268499 0.87 FFAR4 (0.46) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL15788824 0.84 MAOB (0.51) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL15772343 0.82 CHRM3 (0.71) CHRM3
SCHEMBL15772339 0.82 CHRM3 (0.71) CHRM3
SCHEMBL15772341 0.82 CHRM3 (0.71) CHRM3
SCHEMBL19903853 0.80 MAOB (0.56) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL19984677 0.76 RXRA (0.57) CHRM3MAOBKMT2ASMN1; SMN2
SCHEMBL19984615 0.75 MAOB (0.61) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL19903884 0.74 MAOA (0.53) CHRM3MAOAMAOBNPC1RAB9A
SCHEMBL19903833 0.73 CHRM3 (0.45) CHRM3KMT2ASMN1; SMN2BCHE

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