SCHEMBL5771719

SCHEMBL5771719

CCOC(=O)c1[nH]c(-c2ccc(Cl)c(Cl)c2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
ALOX5 P09917 3/20 0.47
PTGES O14684 1/20 0.47
TEAD2 Q15562 1/20 0.43
TP53 P04637 2/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
MDM2 Q00987 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
GCGR P47871 1/20 0.42
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL5771002 0.87 GCGR (0.55) ALOX5PTGESTP53MDM2ALDH1A1
SCHEMBL9015200 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ALOX5PTGES
SCHEMBL5772744 0.84 ALOX5 (0.50) ALOX5PTGESJAK2JAK3ALDH1A1
SCHEMBL2748256 0.83 LMNA (0.54) TP53ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL5773315 0.82 ALDH1A1 (0.50) ALOX5PTGESTP53JAK2JAK3
SCHEMBL5774019 0.82 MAPT (0.54) TP53ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL21264058 0.82 MAPT (0.54) TP53ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL5775657 0.81 ALDH1A1 (0.52) TP53ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL2748270 0.81 HPGD (0.56) TP53JAK2JAK3ALDH1A1SMN1; SMN2
SCHEMBL5776076 0.80 GRM6 (0.50) ALOX5TP53ALDH1A1SMN1; SMN2KDM4E

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