SCHEMBL5773685

SCHEMBL5773685

Cc1nc(N2CC=CC2)c2nc(-c3ccc(F)cc3)cc-2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.40
RAD51 Q06609 1/20 0.39
HRH4 Q9H3N8 5/20 0.37
KIT P10721 4/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 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 SCHEMBL5773424 0.98 NPY5R (0.39) NPY5RRAD51HRH4KITHRH3
SCHEMBL5772805 0.83 HRH4 (0.39) NPY5RHRH4MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5778150 0.81 HRH4 (0.38) NPY5RHRH4MAPTKDM4EALDH1A1
SCHEMBL5772845 0.81 NPY5R (0.41) NPY5RKIT
SCHEMBL5775406 0.81 NPY5R (0.56) NPY5RMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL5772107 0.80 XDH (0.43) NPY5RKITKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL5773907 0.80 NPY5R (0.55) NPY5RMAPTL3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5777029 0.79 NPY5R (0.40) NPY5RKIT
Hydrochloric Acid SCHEMBL5774382 0.78 XDH (0.41) NPY5RKITKDM4EALDH1A1HPGD
SCHEMBL5771896 0.77 NPY5R (0.52) NPY5RL3MBTL1KDM4E

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