SCHEMBL8809674

SCHEMBL8809674

CC(C)(C)OC(=O)NC(=N)c1ccc(CNC(=O)[C@]2(CC(=O)O)C(C3CCCCC3)CCN2C(=O)CN)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
F2 P00734 12/20 0.35
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
PPIB P23284 1/20 0.32
ELANE P08246 1/20 0.31
HDAC1 Q13547 1/20 0.31
CYP3A4 P08684 1/20 0.31
ACE P12821 1/20 0.31
ROCK2 O75116 1/20 0.30

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
SCHEMBL8933283 0.84 ACACB (0.31) ELANE
SCHEMBL7049734 0.81 NAMPT (0.37) NAMPTF2F10PLGPLAT
SCHEMBL8933142 0.77 F2 (0.40) F2F10PLGPLATPRSS1
SCHEMBL8781082 0.77 F2 (0.43) NAMPTF2F10PLGPLAT
SCHEMBL7987041 0.73 NAMPT (0.37) NAMPTF2F10PLGPLAT
SCHEMBL7048448 0.67 CNR1 (0.32) F2
SCHEMBL8725592 0.65 F2 (0.33) NAMPTF2F10PLGPLAT
SCHEMBL18300541 0.65 L3MBTL1 (0.46) NAMPTHDAC1CYP3A4
Acetic Acid SCHEMBL6477043 0.64 NPC1L1 (0.32) F2
SCHEMBL7705663 0.63 OPRM1 (0.32) F2ELANE

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
WO-1996025426-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed