SCHEMBL19903889

SCHEMBL19903889

O=CN(CCOC(=O)c1ccc(COc2cccc(C(NC(=O)O)c3ccccc3)c2)cc1)Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.43
NR4A2 P43354 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SMPD1 P17405 1/20 0.39
PTPN1 P18031 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ADRB2 P07550 3/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.37
POLB P06746 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL19984510 0.77 CHRM3 (0.64) CHRM3MAOBMEN1KMT2ANPC1
SCHEMBL19984429 0.76 CHRM3 (0.62) CHRM3NR4A2RXRARXRBRXRG
SCHEMBL20373866 0.76 CHRM3 (0.62) CHRM3NR4A2RXRARXRBRXRG
SCHEMBL19903884 0.74 MAOA (0.53) CHRM3NR4A2MAOAMAOBKMT2A
SCHEMBL19903833 0.73 CHRM3 (0.45) CHRM3NR4A2RXRARXRBRXRG
SCHEMBL15777842 0.72 SMPD1 (0.55) CHRM3NR4A2RXRARXRBMAOA
SCHEMBL15777839 0.72 SMPD1 (0.55) CHRM3NR4A2RXRARXRBMAOA
SCHEMBL15783775 0.70 CHRM3 (0.60) CHRM3NR4A2RXRARXRBRXRG
SCHEMBL16715064 0.70 CHRM3 (0.46) CHRM3MEN1KMT2AADRB2PTGES
SCHEMBL16715065 0.70 CHRM3 (0.46) CHRM3MEN1KMT2AADRB2PTGES

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
EP-2928890-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-02-28 EP disclosed