SCHEMBL6623337

SCHEMBL6623337

O=C(NC1CC1)c1cc[c]o1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
RAB9A P51151 7/20 0.41
NPC1 O15118 5/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
P2RX7 Q99572 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5592829 0.75
SCHEMBL6622861 0.75 ALDH1A1 (0.45) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL4490802 0.73
SCHEMBL4167189 0.69 ALDH1A1 (0.84) HPGDALDH1A1SMN1; SMN2TSHRNPC1
SCHEMBL2156713 0.68 RAB9A (0.58) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL6764380 0.68 POLB (0.45) HPGDALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL4182109 0.68 KMT2A (0.47) HPGDALDH1A1SMN1; SMN2TSHRNPC1
SCHEMBL855237 0.66
SCHEMBL1477302 0.66 RAB9A (0.65) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL1990596 0.64 NPC1 (0.49) HPGDALDH1A1SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487827-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-12-22 EP claimed
WO-2003082862-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-09 WO claimed
EP-1487827-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082862-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed