SCHEMBL5772136

SCHEMBL5772136

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
SCN10A Q9Y5Y9 8/20 0.43
KCNH2 Q12809 4/20 0.43
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
CASP3 P42574 1/20 0.42
KMT2A Q03164 1/20 0.42
SENP8 Q96LD8 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2748270 0.86 HPGD (0.56) POLBMAPTKDM4ENPC1RAB9A
SCHEMBL5774019 0.85 MAPT (0.54) POLBMAPTKDM4ENPC1RAB9A
SCHEMBL2748256 0.83 LMNA (0.54) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL21264058 0.82 MAPT (0.54) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL5771002 0.82 GCGR (0.55) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL5775657 0.82 ALDH1A1 (0.52) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL5773864 0.79 MAPT (0.50) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL5771719 0.78 SLC6A2 (0.48) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL5773315 0.77 ALDH1A1 (0.50) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL30741041 0.75 POLB (0.46) POLBSCN10ATP53HPGDHRH2

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