SCHEMBL5774640

SCHEMBL5774640

CCc1nc(N2CCCCC2)c2oc(-c3ccc(Cl)cc3)cc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.57
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 1/20 0.40
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
MCHR1 Q99705 1/20 0.37
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL5771137 0.85 NPY5R (0.78) NPY5RALDH1A1MAPTNPSR1HPGD
Hydrochloric Acid SCHEMBL5772915 0.83 NPY5R (0.74) NPY5RALDH1A1MAPTNPSR1HPGD
SCHEMBL27492494 0.66 KMT2A (0.64) NPY5RALDH1A1MAPTNPSR1LMNA
SCHEMBL1857620 0.64 NPY5R (0.58) NPY5RALDH1A1MAPTNPSR1KDM4E
SCHEMBL23804749 0.64 NPY5R (0.46) NPY5RALDH1A1LMNAKDM4ETDP1
SCHEMBL5773493 0.64 NPY5R (0.51) NPY5RALDH1A1MAPTNPSR1LMNA
Hydrochloric Acid SCHEMBL5771488 0.63 NPY5R (0.50) NPY5RALDH1A1MAPTNPSR1LMNA
SCHEMBL5771797 0.63 NPY5R (1.00) NPY5R
SCHEMBL5775503 0.63 NPY5R (0.66) NPY5RALDH1A1MAPTLMNAHPGD
Hydrochloric Acid SCHEMBL5772549 0.62 NPY5R (0.65) NPY5RALDH1A1MAPTLMNAHPGD

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