SCHEMBL7345915

SCHEMBL7345915

CC(C)(C)OC(=O)NCCCCNC(=O)[C@@H]1CCCN1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.64
TDP1 Q9NUW8 1/20 0.50
EPHX1 P07099 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TLR2 O60603 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
HTR2C P28335 1/20 0.42
FPR3 P25089 2/20 0.40
FPR2 P25090 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DPP7 Q9UHL4 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
SCHEMBL5033162 0.95 PRCP (0.61) PRCPTDP1EPHX1MAOAMAOB
SCHEMBL13767206 0.94 PRCP (0.56) PRCPTDP1EPHX1MEN1GAA
SCHEMBL15665243 0.87 PRCP (0.61) PRCPTLR2HTR2CFPR3FPR2
SCHEMBL15665421 0.87 PRCP (0.61) PRCPTLR2HTR2CFPR3FPR2
SCHEMBL3957702 0.81 MEN1 (0.44) PRCPTDP1EPHX1MEN1GAA
SCHEMBL27512384 0.81 PRCP (0.43) PRCPTDP1EPHX1MAOAMAOB
SCHEMBL7299117 0.80 PRCP (0.43) PRCPEPHX1GAATLR2HTR2C
SCHEMBL373560 0.80 PRCP (0.43) PRCPEPHX1GAATLR2HTR2C
SCHEMBL28232408 0.80 PRCP (0.43) PRCPEPHX1GAATLR2HTR2C
SCHEMBL23762418 0.80 PRCP (0.97) PRCPEPHX1TLR2DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP disclosed