SCHEMBL7209082

SCHEMBL7209082

NP(=O)(O)OC(=O)[C@@H](Cc1ccccc1)NOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TACR1 P25103 2/20 0.43
MME P08473 1/20 0.42
ECE1 P42892 1/20 0.42
LAP3 P28838 3/20 0.41
ANPEP P15144 1/20 0.41
ACE P12821 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MBTPS1 Q14703 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
SCHEMBL7207869 1.00 NPC1 (0.46) NPC1RAB9ATACR1MMEECE1
SCHEMBL7214128 0.92 NPC1 (0.53) NPC1RAB9AANPEP
SCHEMBL7212742 0.87 HPRT1 (0.39) LAP3ANPEPCTSL
SCHEMBL28460302 0.87 TACR1 (0.43) NPC1RAB9ATACR1MMEECE1
SCHEMBL7212770 0.86 CTSK (0.46) NPC1RAB9ACTSLCTSBCTSS
SCHEMBL7207876 0.86 NPC1 (0.43) NPC1RAB9ACTSLCTSSCTSK
SCHEMBL7212869 0.86 CTSK (0.46) NPC1RAB9ACTSLCTSBCTSS
SCHEMBL7214212 0.83 NPC1 (0.47) NPC1RAB9A
SCHEMBL4265208 0.83 NPC1 (0.47) NPC1RAB9A
SCHEMBL7212740 0.83 ECE1 (0.55) TACR1MMEECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150988-B1 PHOSPHORAMIDATE, AND MONO-, DI-, AND TRI-PHOSPHATE ESTERS OF (1R, CIS)-4-(6-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL AGENTS GLAXO GROUP LTD (GB) 2003-05-28 EP claimed