SCHEMBL5775434

SCHEMBL5775434

C=C(C)CN(CC)c1nc(C)[nH]c2cc(-c3ccccc3)nc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.39
KDM4E B2RXH2 6/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ATM Q13315 1/20 0.34
CDC7 O00311 2/20 0.33
GAA P10253 1/20 0.33
PIM1 P11309 1/20 0.32

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
SCHEMBL5777863 0.88 NPY5R (0.48) NPY5RKDM4EADORA3ADORA2AADORA1
SCHEMBL5775086 0.78 NPY5R (0.37) NPY5RKDM4EADORA3ADORA1ALDH1A1
SCHEMBL5774357 0.71 ADORA3 (0.48) KDM4EADORA3ADORA2AADORA1ALDH1A1
SCHEMBL5775432 0.71 NPY5R (0.78) NPY5R
SCHEMBL5776191 0.71 KDM4E (0.40) KDM4EADORA3ADORA2AADORA1ALDH1A1
SCHEMBL5775603 0.71 ADORA3 (0.50) KDM4EADORA3ADORA2AADORA1ALDH1A1
SCHEMBL5777606 0.70 ABCB1 (0.39) KDM4EADORA3ADORA2AADORA1ALDH1A1
SCHEMBL5774543 0.69 ADORA1 (0.48) KDM4EADORA3ADORA2AADORA1ALDH1A1
SCHEMBL5771758 0.69 ADORA2A (0.48) NPY5RKDM4EADORA3ADORA2AADORA1
SCHEMBL5773451 0.68 NPY5R (0.56) NPY5RKDM4EALDH1A1HPGDKMT2A

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