SCHEMBL5774486

SCHEMBL5774486

Cc1nc(N2CCCC(=O)C2)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPY5R Q15761 8/20 0.40
KMT2A Q03164 1/20 0.40
CDC7 O00311 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
ADORA1 P30542 1/20 0.36

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
SCHEMBL5775329 0.86 KDM4E (0.45) HSD17B10KDM4EALDH1A1HPGDNPY5R
SCHEMBL5773349 0.86 NPY5R (0.52) HSD17B10KDM4ENPY5RKMT2AL3MBTL1
SCHEMBL5771896 0.86 NPY5R (0.52) HSD17B10KDM4ENPY5RKMT2AL3MBTL1
SCHEMBL5773681 0.85 NPY5R (0.54) HSD17B10KDM4EHPGDNPY5RKMT2A
Hydrochloric Acid SCHEMBL5777287 0.84 NPY5R (0.50) HSD17B10KDM4ENPY5RKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL5776807 0.84 NPY5R (0.50) HSD17B10KDM4ENPY5RKMT2AL3MBTL1
SCHEMBL5772625 0.79 MELK (0.45) HSD17B10KDM4EALDH1A1HPGDNPY5R
SCHEMBL5774815 0.79 NPY5R (0.54) HSD17B10KDM4EALDH1A1HPGDNPY5R
SCHEMBL5772300 0.79 HSD17B10 (0.42) HSD17B10KDM4EALDH1A1HPGDNPY5R
SCHEMBL5773980 0.78 NPY5R (0.55) HSD17B10KDM4EALDH1A1HPGDNPY5R

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 1 patent. 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