SCHEMBL5774225

SCHEMBL5774225

Cc1nc(C2CCCCC2)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.50
ADORA1 P30542 10/20 0.46
ADORA3 P0DMS8 5/20 0.46
ADORA2A P29274 5/20 0.46
ADORA2B P29275 2/20 0.46
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SSTR3 P32745 1/20 0.43
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5774654 0.89 NPY5R (0.41) NPY5RADORA1ADORA3ADORA2AADORA2B
SCHEMBL5776182 0.84 HPGDS (0.40) NPY5RADORA1ADORA3ADORA2AKDM4E
Hydrochloric Acid SCHEMBL5777280 0.82 HPGDS (0.39) NPY5RADORA1ADORA3ADORA2AADORA2B
SCHEMBL5773343 0.82 ADORA3 (0.41) NPY5RADORA1ADORA3ADORA2AADORA2B
Hydrochloric Acid SCHEMBL5776800 0.80 ADORA3 (0.39) NPY5RADORA1ADORA3ADORA2AADORA2B
SCHEMBL5775398 0.77 ADORA3 (0.39) ADORA1ADORA3ADORA2AADORA2BCDC7
SCHEMBL5775603 0.76 ADORA3 (0.50) ADORA1ADORA3ADORA2ATDP1L3MBTL1
Hydrochloric Acid SCHEMBL5773897 0.76 ADORA3 (0.38) ADORA1ADORA3ADORA2AADORA2BCDC7
SCHEMBL5773681 0.74 NPY5R (0.54) NPY5RL3MBTL1KDM4EKMT2AHPGD
SCHEMBL5773505 0.74 NPY5R (0.56) NPY5RADORA1ADORA3ADORA2ACDC7

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