SCHEMBL5773457

SCHEMBL5773457

Cc1nc(N(C)Cc2ccco2)c2[nH]c(-c3ccccc3)cc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 1.00
CYP1A2 P05177 7/20 0.48
CYP3A4 P08684 7/20 0.48
CYP2D6 P10635 7/20 0.48
CYP2C19 P33261 7/20 0.48
TSHR P16473 6/20 0.48
CLK4 Q9HAZ1 5/20 0.48
HSD17B10 Q99714 4/20 0.46
ALOX15 P16050 2/20 0.46
ALDH1A1 P00352 4/20 0.46
USP2 O75604 3/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C9 P11712 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL5777611 0.76 NPY5R (0.63) NPY5R
SCHEMBL5777860 0.75 NPY5R (1.00) NPY5R
SCHEMBL5773451 0.72 NPY5R (0.56) NPY5RCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5776188 0.70 NPY5R (0.61) NPY5R
SCHEMBL5775599 0.70 NPY5R (0.72) NPY5R
SCHEMBL5772401 0.69 NPY5R (0.70) NPY5R
SCHEMBL5774226 0.69 NPY5R (0.77) NPY5R
SCHEMBL5775432 0.68 NPY5R (0.78) NPY5R
SCHEMBL5771755 0.68 NPY5R (1.00) NPY5R
SCHEMBL5773995 0.68 NPY5R (0.68) NPY5R

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