SCHEMBL3885528

SCHEMBL3885528

O=C(COCCc1c(Cl)cccc1Cl)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 2/20 0.53
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 3/20 0.49
HPGD P15428 3/20 0.49
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 2/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GRM5 P41594 1/20 0.45
RECQL P46063 1/20 0.44

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
SCHEMBL3884741 0.85 KMT2A (0.43) POLBKMT2AMEN1MAPTATM
SCHEMBL3886789 0.76 AKR1B1 (0.53) POLBKMT2AMEN1SMN1; SMN2
SCHEMBL3883627 0.72 CCR3 (0.42) POLBKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL3816127 0.71 RAB9A (0.44) POLBMAPTRAB9AHPGDNPC1
SCHEMBL4140217 0.71 GRM5 (0.44) POLBKMT2AMEN1MAPTGRM5
SCHEMBL31038285 0.71 TAAR1 (0.56) POLBL3MBTL1RAB9AGAATSHR
SCHEMBL11149531 0.70 POLB (0.54) POLBKMT2AMEN1MAPTATM
SCHEMBL11149529 0.70 POLB (0.54) POLBKMT2AMEN1MAPTATM
SCHEMBL4830376 0.69 GRM5 (0.71) POLBKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL9124424 0.69 L3MBTL1 (0.46) POLBKMT2AMEN1MAPTATM

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-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 WO disclosed