SCHEMBL7405709

SCHEMBL7405709

O=C1C[C@@H]2[C@H](CCN2C(=O)OCc2ccccc2)N1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ELANE P08246 4/20 0.47
CYP2C19 P33261 1/20 0.46
F2 P00734 2/20 0.46
CTSG P08311 1/20 0.46

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
SCHEMBL34474262 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AELANECYP2C19
SCHEMBL18428256 0.88 ELANE (0.48) SMN1; SMN2NPC1RAB9AELANE
SCHEMBL30065232 0.81 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AELANECYP2C19
SCHEMBL4397158 0.81 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4397156 0.81 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL9029867 0.80 ELANE (0.50) SMN1; SMN2NPC1RAB9AELANECYP2C19
SCHEMBL12205561 0.80 ELANE (0.50) SMN1; SMN2NPC1RAB9AELANECYP2C19
SCHEMBL1934000 0.80 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AELANECYP2C19
SCHEMBL34474706 0.80 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AELANECYP2C19
SCHEMBL18428254 0.78 PREP (0.48) SMN1; SMN2NPC1RAB9ACYP2C19

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 5 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
WO-2000018770-A1 PYRROLOPYRROLONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXO GROUP LIMITED (GB) 2000-04-06 WO 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