SCHEMBL6986000

SCHEMBL6986000

CCCCS(=O)(=O)N(CC(=O)OCC)c1cccc2c1N(C(=O)CCc1ccc(C#N)cc1)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.36
USP14 P54578 1/20 0.34
MAPT P10636 4/20 0.33
AVPR2 P30518 2/20 0.33
OXTR P30559 2/20 0.33
AVPR1A P37288 2/20 0.33
NOTUM Q6P988 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP4 P27487 1/20 0.32
FPR1 P21462 2/20 0.32
FPR2 P25090 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6987767 0.87 TP53 (0.42) NR3C1ALDH1A1LMNAGAAL3MBTL1
SCHEMBL6985993 0.85 NR3C1 (0.46) NR3C1USP14MAPTALDH1A1MAPK1
SCHEMBL6982692 0.82 L3MBTL1 (0.38) NR3C1USP14MAPTNOTUMALDH1A1
SCHEMBL6985399 0.82 NOTUM (0.36) USP14MAPTAVPR2OXTRAVPR1A
SCHEMBL6979151 0.81 USP14 (0.35) USP14MAPTNOTUMALDH1A1NPC1
SCHEMBL6985613 0.81 CCR5 (0.37) USP14MAPTNOTUMALDH1A1NPC1
SCHEMBL7407619 0.80 MAPT (0.34) NR3C1MAPTALDH1A1GAA
SCHEMBL6978045 0.80 ALDH1A1 (0.35) NR3C1USP14MAPTAVPR2NOTUM
SCHEMBL6984734 0.79 AVPR2 (0.36) NR3C1MAPTAVPR2OXTRAVPR1A
SCHEMBL6980758 0.79 NOTUM (0.42) USP14MAPTAVPR2OXTRAVPR1A

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-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed