SCHEMBL7987041

SCHEMBL7987041

C[C@H](N)C(=O)N1CCC[C@]1(C(=O)NCc1ccc(C(=N)NC(=O)OC(C)(C)C)nc1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
F2 P00734 11/20 0.36
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP3A4 P08684 1/20 0.32
PPIB P23284 1/20 0.32
MC4R P32245 1/20 0.32
MC5R P33032 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
SCHEMBL7049734 0.90 NAMPT (0.37) NAMPTF2F10PLGPLAT
SCHEMBL7987916 0.81 F2 (0.39) NAMPTF2F10PLGPLAT
SCHEMBL7989105 0.78 NAMPT (0.39) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7049735 0.78 F2 (0.40) NAMPTF2F10PLGPLAT
SCHEMBL7705663 0.73 OPRM1 (0.32) F2MEN1KMT2AALDH1A1
SCHEMBL7045869 0.73 NAMPT (0.40) NAMPTPPIB
SCHEMBL8809674 0.73 NAMPT (0.37) NAMPTF2F10PLGPLAT
SCHEMBL7973611 0.72 NAMPT (0.37) NAMPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7991189 0.72 F2 (0.44) F2F10PLGPLATPRSS1
Acetic Acid SCHEMBL6477043 0.71 NPC1L1 (0.32) F2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204385-B1 REACTING THE CORRESPONDING NITRILE WITH AMMONIA, AMINE OR HYDRAZINE IN THE PRESENCE OF A MERCAPTOCARBOXYLIC ACID BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0931069-B1 PROCESS FOR PREPARING AMIDINES BASF AG (DE) 2000-11-29 EP disclosed
EP-1030840-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE AS DRUGS TEIJIN LIMITED (JP) 2000-08-30 EP disclosed
EP-0931069-A1 PROCESS FOR PREPARING AMIDINES BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
WO-1999025686-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE AS DRUGS TEIJIN LIMITED (JP) 1999-05-27 WO disclosed
WO-1998009950-A1 PROCESS FOR PREPARING AMIDINES BASF AKTIENGESELLSCHAFT (DE) 1998-03-12 WO disclosed