SCHEMBL1812463

SCHEMBL1812463

O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.51
KMT2A Q03164 5/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL1812465 1.00 CCR3 (0.51) CCR3KMT2APKMALDH1A1L3MBTL1
SCHEMBL1805808 0.89 CCR3 (0.56) CCR3KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL1805810 0.89 CCR3 (0.56) CCR3KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL1807556 0.86 CCR3 (0.59) CCR3KMT2AALDH1A1HPGDMEN1
SCHEMBL1807554 0.86 CCR3 (0.59) CCR3KMT2AALDH1A1HPGDMEN1
SCHEMBL1809490 0.85 CCR3 (0.60) CCR3KMT2AALDH1A1HPGDMEN1
SCHEMBL1808939 0.85 CCR3 (0.56) CCR3KMT2AALDH1A1HPGDMEN1
SCHEMBL1808933 0.85 CCR3 (0.56) CCR3KMT2AALDH1A1HPGDMEN1
SCHEMBL1809496 0.85 CCR3 (0.60) CCR3KMT2AALDH1A1HPGDMEN1
SCHEMBL1810211 0.84 CCR3 (0.72) CCR3KMT2AALDH1A1HPGDMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 EP disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed