SCHEMBL7407393

SCHEMBL7407393

COc1ccc(COC(=O)N2CC[C@@H]3NC(=O)C(C)=C32)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX4 Q99571 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 0.88 NPC1 (0.46) GRIN2BHTTSMN1; SMN2
SCHEMBL6624131 0.80 NPC1 (0.45) HTTSMN1; SMN2
SCHEMBL6618552 0.75 NPC1 (0.44) HTTSMN1; SMN2
SCHEMBL7989218 0.74 NPC1 (0.44) HTTSMN1; SMN2
SCHEMBL6619994 0.74 NPC1 (0.44) HTTSMN1; SMN2
SCHEMBL6617554 0.74 NPC1 (0.44) HTTSMN1; SMN2
SCHEMBL6618031 0.74 NPC1 (0.44) HTTSMN1; SMN2
SCHEMBL7409091 0.70 MEN1 (0.46) GRIN2BHSD17B10
SCHEMBL6621891 0.70 ELANE (0.43) SMN1; SMN2
SCHEMBL3047836 0.70 GRIN2B (0.54) GRIN2BPKMSMN1; SMN2P2RX4

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-1015454-A1 METHOD OF INHIBITING SERINE PROTEASE ENZYMES GLAXO GROUP LIMITED (GB) 2000-07-05 EP disclosed
EP-0973775-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-26 EP disclosed
WO-1999012932-A1 METHOD OF INHIBITING SERINE PROTEASE ENZYMES GLAXO GROUP LIMITED (GB) 1999-03-18 WO disclosed
WO-1998043975-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-10-08 WO disclosed