Morpholine

Morpholine

SCHEMBL6167416

C1COCCN1.Nc1cc(C(=O)Oc2cc(C(=O)O)cc([N+](=O)[O-])c2)cc(N2CCOCC2)c1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
ALDH1A1 P00352 8/20 0.46
POLB P06746 1/20 0.46
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.37
KMO O15229 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 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
SCHEMBL6167412 0.84 KMO (0.48) MAPTALDH1A1CYP2C9LMNAKMO
SCHEMBL6167415 0.80 NPC1 (0.46) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL1172184 0.78 KMO (0.55) MAPTALDH1A1KMT2ATDP1LMNA
SCHEMBL2724092 0.75 KMO (0.60) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL17542589 0.71 MAPT (0.48) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL2710964 0.71 LMNA (0.57) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL1172381 0.70 SMN1; SMN2 (0.57) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL1172309 0.69 NPC1 (0.56) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL2712184 0.68 MRGPRX4 (0.49) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5129188 0.67 MAPT (0.50) MAPTALDH1A1NPC1LMNAHTT

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-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 WO disclosed