SCHEMBL7048588

SCHEMBL7048588

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.39
EGLN1 Q9GZT9 8/20 0.35
TP53 P04637 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
S1PR1 P21453 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
CYP3A4 P08684 1/20 0.32
ERG P11308 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
PPIB P23284 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7045869 0.91 NAMPT (0.40) NAMPTEGLN1TP53GPR119JAK2
SCHEMBL7049735 0.86 F2 (0.40) NAMPTTP53S1PR1PPIB
SCHEMBL6476534 0.84 JAK2 (0.36) GPR119JAK2JAK1
SCHEMBL7989105 0.83 NAMPT (0.39) NAMPTEGLN1GPR119CYP3A4LMNA
SCHEMBL7973611 0.80 NAMPT (0.37) NAMPTEGLN1TP53GPR119JAK2
SCHEMBL7045772 0.80 JAK2 (0.40) JAK2JAK1
SCHEMBL7045257 0.76 DPP4 (0.37) JAK2JAK1
SCHEMBL5901089 0.76 EPHX1 (0.33)
SCHEMBL6477215 0.76 JAK2 (0.37) NAMPTGPR119JAK2JAK1
SCHEMBL7049353 0.74 F2 (0.35) LMNA

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