SCHEMBL5777041

SCHEMBL5777041

CCCCC(CC)CNc1nc(C)[nH]c2cc(-c3ccccc3)nc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.54
PFKFB3 Q16875 1/20 0.39
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 5/20 0.37
TLR8 Q9NR97 1/20 0.36
ADORA1 P30542 5/20 0.34
ADORA3 P0DMS8 3/20 0.34
ADORA2A P29274 2/20 0.34
TACR3 P29371 1/20 0.34
ADORA2B P29275 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL5775960 0.74 NPY5R (0.56) NPY5RALDH1A1KDM4ETLR8ADORA1
SCHEMBL5771208 0.74 KDM4E (0.39) ALDH1A1KDM4EADORA1ADORA3ADORA2A
SCHEMBL6216000 0.74 MEN1 (0.46) ALDH1A1KDM4EADORA1ADORA3ADORA2A
SCHEMBL5774513 0.73 HIF1A (0.49) NPY5RALDH1A1KDM4EADORA1ADORA3
SCHEMBL5773067 0.73 F10 (0.39) ALDH1A1KDM4EADORA1ADORA2ATACR3
SCHEMBL13309923 0.73 ADORA1 (0.53) NPY5RPFKFB3ALDH1A1KDM4ETLR8
SCHEMBL5777045 0.73 NPY5R (0.94) NPY5RPFKFB3
Hydrochloric Acid SCHEMBL5776728 0.72 PDE5A (0.44) NPY5RALDH1A1KDM4EADORA1ADORA3
SCHEMBL8115271 0.72 GBA1 (0.40) NPY5RKDM4EADORA1ADORA3ADORA2A
Hydrochloric Acid SCHEMBL5776353 0.71 NPY5R (0.46) NPY5RALDH1A1KDM4EADORA1ADORA3

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 3 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