SCHEMBL5773505

SCHEMBL5773505

Cc1nc(N2[C@H](C)CCC[C@@H]2C)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.56
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPK1 P28482 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
CDC7 O00311 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5771920 0.88 NPY5R (0.42) NPY5RKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL5773550 0.87 NPY5R (0.42) NPY5RKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5769714 0.86 NPY5R (0.53) NPY5RKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5773813 0.85 NPY5R (0.58) NPY5RKDM4EALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL5775998 0.83 NPY5R (0.56) NPY5RKDM4EALDH1A1HPGDMAPK1
SCHEMBL5771896 0.80 NPY5R (0.52) NPY5RKDM4EHSD17B10KMT2A
SCHEMBL5773349 0.80 NPY5R (0.52) NPY5RKDM4EHSD17B10KMT2A
SCHEMBL5776510 0.80 NPY5R (0.44) NPY5RKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5773681 0.79 NPY5R (0.54) NPY5RKDM4EHPGDHSD17B10KMT2A
SCHEMBL8129938 0.79 NPY5R (0.56) NPY5RKDM4EALDH1A1HPGDHSD17B10

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