SCHEMBL5771002

SCHEMBL5771002

CCOC(=O)c1[nH]c(-c2ccc(Cl)cc2)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.55
TP53 P04637 2/20 0.53
MDM2 Q00987 1/20 0.53
ALPL P05186 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PRKCZ Q05513 1/20 0.48
ALDH1A1 P00352 4/20 0.47
ALOX5 P09917 2/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX15 P16050 6/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
ABCC1 P33527 1/20 0.46
PTGES O14684 1/20 0.45
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL2748256 0.88 LMNA (0.54) GCGRTP53MEN1KMT2AALDH1A1
SCHEMBL5771719 0.87 SLC6A2 (0.48) GCGRTP53MDM2ALDH1A1ALOX5
SCHEMBL21264058 0.86 MAPT (0.54) GCGRTP53MEN1KMT2AALDH1A1
SCHEMBL5774019 0.86 MAPT (0.54) GCGRTP53MEN1KMT2APRKCZ
SCHEMBL5775657 0.86 ALDH1A1 (0.52) TP53MEN1KMT2AALDH1A1CYP1A2
SCHEMBL5772744 0.86 ALOX5 (0.50) MEN1KMT2AALDH1A1ALOX5CYP1A2
SCHEMBL2748270 0.85 HPGD (0.56) TP53MEN1KMT2AALDH1A1HPGD
SCHEMBL5772136 0.82 POLB (0.44) TP53MEN1KMT2AALDH1A1HPGD
SCHEMBL5773315 0.81 ALDH1A1 (0.50) TP53MEN1KMT2AALDH1A1ALOX5
SCHEMBL5776076 0.79 GRM6 (0.50) TP53MEN1KMT2AALDH1A1ALOX5

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