SCHEMBL5771808

SCHEMBL5771808

Oc1nc(S)nc2cc(-c3ccccc3)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 18/20 0.49
KDM4A O75164 1/20 0.44
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41

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
SCHEMBL5771492 0.84 NPY5R (0.51) NPY5RKDM4AKDM5AKDM4CKDM5B
SCHEMBL5774883 0.83 NPY5R (0.57) NPY5RKDM4AKDM5AKDM4CKDM5B
SCHEMBL5777139 0.81 NPY5R (0.58) NPY5RKDM4AKDM5AKDM4CKDM5B
SCHEMBL5773995 0.81 NPY5R (0.68) NPY5R
SCHEMBL5771200 0.78 NPY5R (0.60) NPY5RKDM4AKDM5AKDM4CKDM5B
SCHEMBL5773854 0.78 NPY5R (0.60) NPY5RKDM4AKDM5AKDM4CKDM5B
SCHEMBL5772086 0.78 NPY5R (0.60) NPY5RKDM4AKDM5AKDM4CKDM5B
SCHEMBL5771917 0.78 NPY5R (0.60) NPY5RKDM4AKDM5AKDM4CKDM5B
SCHEMBL5772302 0.77 NPY5R (0.62) NPY5RKDM4AKDM5AKDM4CKDM5B
SCHEMBL5774768 0.76 NPY5R (0.62) 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