SCHEMBL8770327

SCHEMBL8770327

CC(C)(C)OC(=O)COc1ccc(NC(=O)NC(=O)c2ccc(C(=N)N)cc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TMPRSS15 P98073 7/20 0.39
EPHX2 P34913 1/20 0.39
FFAR1 O14842 6/20 0.39
MCHR1 Q99705 1/20 0.38
PRSS1 P07477 5/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
F2 P00734 1/20 0.37
TMPRSS6 Q8IU80 1/20 0.37

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
SCHEMBL8770215 0.90 NPC1 (0.43) NPC1RAB9AEPHX2FFAR1MCHR1
SCHEMBL8770331 0.86 F2 (0.39) NPC1RAB9APRSS1ITGB1ITGA4
SCHEMBL8770248 0.86 NPC1 (0.42) NPC1RAB9AEPHX2FFAR1MCHR1
SCHEMBL8770417 0.84 NPC1 (0.44) NPC1RAB9APRSS1F2TMPRSS6
SCHEMBL8770309 0.77 ALDH1A1 (0.37) NPC1RAB9AITGB1ITGA4S1PR1
SCHEMBL8770192 0.76 ITGB3 (0.51) PRSS1ITGB1F2TMPRSS6
SCHEMBL8770268 0.76 MAPT (0.39) NPC1RAB9AMCHR1F2
SCHEMBL8770257 0.74 NPC1 (0.44) NPC1RAB9A
SCHEMBL8770576 0.73 P4HTM (0.45) NPC1RAB9AF2
SCHEMBL8770638 0.73 NPC1 (0.51) NPC1RAB9APRSS1F2TMPRSS6

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-0632019-B1 Acylureas ZENECA LTD (GB) 1997-09-24 EP disclosed
US-5576334-A ANTICOAGULANTS ZENECA LIMITED (GB) 1996-11-19 US disclosed
EP-0632019-A1 Acylureas ZENECA LIMITED (GB) 1995-01-04 EP disclosed