SCHEMBL5836837

SCHEMBL5836837

O=C(NC1(NC(=O)c2ccccn2)CCCCC1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.54
GAA P10253 4/20 0.52
MAPT P10636 3/20 0.52
FPR2 P25090 1/20 0.52
LMNA P02545 2/20 0.51
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
KLF5 Q13887 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
MET P08581 1/20 0.47

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
SCHEMBL7188498 1.00 GRM5 (0.54) GRM5GAAMAPTFPR2LMNA
SCHEMBL28911964 0.86 GAA (0.51) GRM5GAAMAPTFPR2LMNA
SCHEMBL1840355 0.83 GAA (0.60) GRM5GAAMAPTFPR2LMNA
SCHEMBL1839289 0.80 GAA (0.59) GRM5GAAMAPTFPR2LMNA
SCHEMBL31231772 0.80 GAA (0.59) GRM5GAAMAPTFPR2LMNA
SCHEMBL30043736 0.79 GRM5 (0.57) GRM5GAAMAPTFPR2LMNA
SCHEMBL30044683 0.79 ANO1 (0.54) GRM5GAAMAPTFPR2LMNA
SCHEMBL29660974 0.79 ANO1 (0.50) GRM5GAAMAPTFPR2LMNA
SCHEMBL29836003 0.79 GRM5 (0.53) GRM5GAAMAPTFPR2LMNA
SCHEMBL10152388 0.78 GRM5 (0.79) GRM5GAAMAPTFPR2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049537-B1 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALLYLIC ALKYLATION UNIV LELAND STANFORD JUNIOR (US) 2003-08-06 EP claimed
EP-1049537-A2 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALLYLIC ALKYLATION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-11-08 EP claimed
WO-1999032225-A9 CATALYTIC COMPOSITION BASED ON CHIRAL LIGANDS WITH MOLYBDENUM, TUNGSTEN OR CHROMIUM AND METHOD FOR ASYMMETRIC ALKYLATION OF ALLYLIC SUBSTRATES UNIV LELAND STANFORD JUNIOR (US) 1999-09-30 WO claimed
WO-1999032225-A2 CATALYTIC COMPOSITION BASED ON CHIRAL LIGANDS WITH MOLYBDENUM, TUNGSTEN OR CHROMIUM AND METHOD FOR ASYMMETRIC ALKYLATION OF ALLYLIC SUBSTRATES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1999-07-01 WO claimed
US-7005521-B1 Catalytic compositions and methods for asymmetric allylic alkylation THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2006-02-28 US disclosed
EP-1049537-B1 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALLYLIC ALKYLATION UNIV LELAND STANFORD JUNIOR (US) 2003-08-06 EP disclosed
US-6130349-A USING COMPLEX OF MOLYBDENUM, TUNGSTEN OR CHROMIUM WITH 1,1*-BINAPHTHYL SYSTEM CONTAINING HETEROCYCLIC NITROGEN GROUP; ENANTIO- AND REGIOSELECTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-10-10 US disclosed