SCHEMBL5774815

SCHEMBL5774815

Cc1nc(N2CCNCC2)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.54
HRH4 Q9H3N8 1/20 0.49
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
NCF1 P14598 3/20 0.43
ADRB1 P08588 2/20 0.43
ADRB2 P07550 1/20 0.43
HTR6 P50406 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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 0.90 NPY5R (0.52) NPY5RKMT2AKDM4EHSD17B10
SCHEMBL5773349 0.90 NPY5R (0.52) NPY5RHRH4KMT2AKDM4EHSD17B10
SCHEMBL5773681 0.89 NPY5R (0.54) NPY5RKMT2AHPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL5776807 0.88 NPY5R (0.50) NPY5RHRH4KMT2AKDM4EHSD17B10
Hydrochloric Acid SCHEMBL5777287 0.88 NPY5R (0.50) NPY5RKMT2AKDM4EHSD17B10
SCHEMBL5772625 0.88 MELK (0.45) NPY5RHRH4ALDH1A1HPGDKDM4E
SCHEMBL5773980 0.86 NPY5R (0.55) NPY5RKMT2AATMALDH1A1HPGD
SCHEMBL5775329 0.85 KDM4E (0.45) NPY5RALDH1A1HPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL5773699 0.85 MELK (0.44) NPY5RHRH4ALDH1A1HPGDKDM4E
SCHEMBL8126501 0.84 NPY5R (0.46) NPY5RHRH4ALDH1A1HPGDKDM4E

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 5 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 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