SCHEMBL7045869

SCHEMBL7045869

CC(C)(C)OC(=O)NCC(=O)N1CCC[C@]1(C(=O)NCc1ccc(C#N)nc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.40
EGLN1 Q9GZT9 8/20 0.36
GPR119 Q8TDV5 1/20 0.34
TP53 P04637 2/20 0.34
PPIB P23284 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL7048588 0.91 NAMPT (0.39) NAMPTEGLN1GPR119TP53PPIB
SCHEMBL7989105 0.88 NAMPT (0.39) NAMPTEGLN1GPR119
SCHEMBL7045257 0.85 DPP4 (0.37) JAK2JAK1JAK3BTK
SCHEMBL6477215 0.85 JAK2 (0.37) NAMPTGPR119JAK2JAK1JAK3
SCHEMBL7973611 0.82 NAMPT (0.37) NAMPTEGLN1GPR119TP53JAK2
SCHEMBL7048665 0.80 P2RX7 (0.41) EGLN1JAK3BTK
SCHEMBL7049344 0.79 JAK2 (0.39) JAK2JAK1JAK3
SCHEMBL7049734 0.77 NAMPT (0.37) NAMPTPPIB
SCHEMBL8781179 0.77 DPP4 (0.37) JAK2JAK1
SCHEMBL7049735 0.76 F2 (0.40) NAMPTTP53PPIB

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-0773955-B1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AG (DE) 2003-04-16 EP disclosed
EP-0773955-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1997-05-21 EP disclosed
WO-1995035309-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1995-12-28 WO disclosed