SCHEMBL5774636

SCHEMBL5774636

CCc1nc(C2CCNCC2)c2oc(-c3ccc(Cl)cc3)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.39
PTGER1 P34995 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR3A P46098 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
FAAH O00519 1/20 0.33
TLR9 Q9NR96 2/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
PLAT P00750 1/20 0.32
KCNH2 Q12809 2/20 0.32
CETP P11597 1/20 0.32
MCHR1 Q99705 1/20 0.32
OPRM1 P35372 1/20 0.32
GPR4 P46093 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL5775698 0.74 NPY5R (0.51) PTGER1GABRA1GABRG2GABRB3SIGMAR1
Hydrochloric Acid SCHEMBL5777672 0.72 NPY5R (0.49) PTGER1GABRA1GABRG2GABRB3SIGMAR1
SCHEMBL5774640 0.71 NPY5R (0.57) NPC1RAB9AMCHR1
SCHEMBL187243 0.61 FAAH (0.43) MAPKAPK2NPC1RAB9AHTR3AGABRA1
SCHEMBL5771159 0.61 RAB9A (0.42) NPC1RAB9AKCNH2MCHR1
Hydrochloric Acid SCHEMBL5773821 0.60 RAB9A (0.44) NPC1RAB9AKCNH2MCHR1
SCHEMBL187003 0.60 HTR3A (0.77) MAPKAPK2HTR3AGABRA1GABRG2GABRB3
SCHEMBL20791706 0.59 ALDH1A1 (0.73) NPC1RAB9AHTR3AGABRA1GABRG2
SCHEMBL13791077 0.58 NPC1 (0.57) NPC1RAB9A
Hydrochloric Acid SCHEMBL557429 0.58 HTR3A (0.74) MAPKAPK2NPC1RAB9AHTR3ASIGMAR1

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 4 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 claimed
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