SCHEMBL5771571

SCHEMBL5771571

c1cc(N2CCCCC2)c2[nH]c(C3CCCCC3)cc2n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 5/20 0.55
KDM5B Q9UGL1 5/20 0.55
NPY5R Q15761 4/20 0.53
CHKA P35790 1/20 0.44
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
ROCK1 Q13464 3/20 0.35
CDC42BPA Q5VT25 3/20 0.35
CDC42BPB Q9Y5S2 3/20 0.35
ROCK2 O75116 2/20 0.35
NCF1 P14598 3/20 0.34
ADRB2 P07550 2/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL5771574 0.73 NPY5R (0.65) KDM5AKDM5BNPY5RKDM4C
SCHEMBL20125337 0.72 KDM5B (0.61) KDM5AKDM5BNPY5RCCNT1CDK9
Hydrochloric Acid SCHEMBL5776809 0.72 NPY5R (0.64) KDM5AKDM5BNPY5RKDM4C
SCHEMBL16150053 0.71 KDM5B (1.00) KDM5AKDM5BKDM4C
SCHEMBL5777964 0.71 NPY5R (0.57) NPY5RCHKAROCK1CDC42BPBROCK2
SCHEMBL5774219 0.71 NPY5R (0.61) NPY5RCHKAPKMALOX15CASP1
SCHEMBL5770253 0.69 NPY5R (1.00) NPY5R
SCHEMBL5776649 0.69 NPY5R (0.40) KDM5AKDM5BNPY5RCHKAPKM
SCHEMBL5773072 0.69 CCNB2 (0.52) KDM5AKDM5BNPY5RKDM4C
Hydrochloric Acid SCHEMBL5776805 0.69 PSMB5 (0.41) KDM5AKDM5BNPY5RCHKAPKM

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 7 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-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 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
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