SCHEMBL5772300

SCHEMBL5772300

Cc1nc(N2CCCCC2=O)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPY5R Q15761 7/20 0.41
KMT2A Q03164 1/20 0.41
PIM1 P11309 2/20 0.39
CDC7 O00311 3/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CLK1 P49759 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 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
SCHEMBL5771896 0.82 NPY5R (0.52) HSD17B10KDM4ENPY5RKMT2A
SCHEMBL5773681 0.81 NPY5R (0.54) HSD17B10KDM4EHPGDNPY5RKMT2A
SCHEMBL5775329 0.81 KDM4E (0.45) HSD17B10KDM4EHPGDALDH1A1NPY5R
Hydrochloric Acid SCHEMBL5777287 0.80 NPY5R (0.50) HSD17B10KDM4ENPY5RKMT2A
SCHEMBL5773349 0.80 NPY5R (0.52) HSD17B10KDM4ENPY5RKMT2A
SCHEMBL5774486 0.79 HSD17B10 (0.43) HSD17B10KDM4EHPGDALDH1A1NPY5R
SCHEMBL5772976 0.79 NPY5R (0.42) HSD17B10KDM4EHPGDALDH1A1NPY5R
Hydrochloric Acid SCHEMBL5776807 0.78 NPY5R (0.50) HSD17B10KDM4ENPY5RKMT2A
Hydrochloric Acid SCHEMBL5775586 0.77 NPY5R (0.41) HSD17B10KDM4EHPGDALDH1A1NPY5R
SCHEMBL5773813 0.76 NPY5R (0.58) KDM4EHPGDALDH1A1NPY5RKMT2A

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-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
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