SCHEMBL5769714

SCHEMBL5769714

Cc1nc(N2CCCC2C)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.53
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
SYK P43405 3/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL5773813 0.97 NPY5R (0.58) NPY5RBCHEACHEALDH1A1MAPK1
Hydrochloric Acid SCHEMBL5775998 0.95 NPY5R (0.56) NPY5RBCHEACHEALDH1A1MAPK1
SCHEMBL5773505 0.86 NPY5R (0.56) NPY5RALDH1A1MAPK1MAPTKDM4E
SCHEMBL5773588 0.86 NPY5R (0.46) NPY5RBCHEACHEALDH1A1MAPK1
SCHEMBL5772713 0.85 NPY5R (0.48) NPY5RSYKADORA3ADORA2AADORA1
SCHEMBL5776510 0.84 NPY5R (0.44) NPY5RALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL5776758 0.84 NPY5R (0.45) NPY5RBCHEACHEALDH1A1MAPK1
SCHEMBL5772751 0.83 NPY5R (0.60) NPY5RALDH1A1LMNAMAPTSYK
SCHEMBL5773654 0.82 NPY5R (0.52) NPY5RALDH1A1MAPK1MAPTSYK
Hydrochloric Acid SCHEMBL5776456 0.81 NPY5R (0.51) NPY5RALDH1A1MAPK1MAPTSYK

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 claimed
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 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