SCHEMBL5774957

SCHEMBL5774957

C=C(c1ccc(OC)c(OC)c1)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 6/20 0.54
HPGD P15428 5/20 0.54
DUSP3 P51452 2/20 0.54
HSD17B10 Q99714 2/20 0.54
GFER P55789 1/20 0.54
ALOX15 P16050 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 2/20 0.53
MEN1 O00255 2/20 0.53
PTPN7 P35236 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53
GAA P10253 1/20 0.52
NPC1 O15118 2/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.50

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
SCHEMBL5773765 0.86 LMNA (0.51) SMN1; SMN2KMT2AALDH1A1HPGDDUSP3
SCHEMBL5772555 0.81 ALDH1A1 (0.70) SMN1; SMN2KMT2AALDH1A1HPGDDUSP3
SCHEMBL29944081 0.79 HPGD (0.76) SMN1; SMN2KMT2AALDH1A1HPGDHSD17B10
SCHEMBL5949604 0.77 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AALDH1A1HPGDALOX15
SCHEMBL5774166 0.75 CHRNA1 (0.52) SMN1; SMN2KMT2AALDH1A1GFERL3MBTL1
SCHEMBL7182897 0.75 HPGD (0.50) SMN1; SMN2KMT2AALDH1A1HPGDALOX15
SCHEMBL14375953 0.74 PDE4A (0.79) SMN1; SMN2KMT2AALDH1A1HPGDHSD17B10
SCHEMBL7191112 0.74 HPGD (0.46) KMT2AALDH1A1HPGDALOX15GAA
SCHEMBL8296526 0.72 CYP2C9 (0.61) SMN1; SMN2KMT2AALDH1A1HPGDHSD17B10
SCHEMBL18848298 0.72 CYP2C9 (0.61) KMT2AALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed