SCHEMBL6624131

SCHEMBL6624131

COC1=C2[C@H](CCN2C(=O)OCc2ccccc2)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTR2C P28335 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PREP P48147 1/20 0.41
CTSK P43235 1/20 0.40
TSHR P16473 1/20 0.40
CCR5 P51681 1/20 0.40

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
SCHEMBL7406324 0.87 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HTR2CL3MBTL1
SCHEMBL6618552 0.85 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HTR2CL3MBTL1
SCHEMBL6617554 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HTR2CL3MBTL1
SCHEMBL6618031 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HTR2CL3MBTL1
SCHEMBL6619994 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HTR2CL3MBTL1
SCHEMBL7989218 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HTR2CL3MBTL1
SCHEMBL6620544 0.84 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HTR2CL3MBTL1
SCHEMBL6621891 0.81 ELANE (0.43) NPC1RAB9ASMN1; SMN2HTR2CL3MBTL1
SCHEMBL6619041 0.81 ELANE (0.43) NPC1RAB9ASMN1; SMN2HTR2CL3MBTL1
SCHEMBL7407393 0.80 GRIN2B (0.42) SMN1; SMN2HTT

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-0891362-B1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LTD (GB) 2004-03-17 EP disclosed
US-6215002-B1 CYCLIZATION, DEBLOCKING, DEPROTECTION, SULFONATION, CONDENSATION, AMIDATION; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS GLAXO WELLCOME INC. 2001-04-10 US disclosed
US-5994344-A BRONCHITIS THERAPY GLAXO WELLCOME INC. (US) 1999-11-30 US disclosed