SCHEMBL5771933

SCHEMBL5771933

Cc1nc(N2C=CCC2)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 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
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 2/20 0.35
TP53 P04637 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
Hydrochloric Acid SCHEMBL5776908 0.98 NPY5R (0.39) NPY5RKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5775406 0.83 NPY5R (0.56) NPY5RKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL5773907 0.82 NPY5R (0.55) NPY5RKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5773349 0.80 NPY5R (0.52) NPY5RKDM4EHSD17B10KMT2A
SCHEMBL5771896 0.80 NPY5R (0.52) NPY5RKDM4EHSD17B10KMT2A
SCHEMBL5773681 0.79 NPY5R (0.54) NPY5RKDM4EHPGDHSD17B10KMT2A
SCHEMBL5772625 0.78 MELK (0.45) NPY5RKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5774815 0.78 NPY5R (0.54) NPY5RKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL5776807 0.78 NPY5R (0.50) NPY5RKDM4EHSD17B10KMT2A
Hydrochloric Acid SCHEMBL5777287 0.78 NPY5R (0.50) NPY5RKDM4EHSD17B10KMT2A

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 2 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