SCHEMBL5775024

SCHEMBL5775024

Cc1nc(C2CCNCC2)c2c(cc(-c3ccccc3)n2C)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.53
ALDH1A1 P00352 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
GABRA1 P14867 6/20 0.36
GABRB2 P47870 6/20 0.36
NSD3 Q9BZ95 1/20 0.36
SOS1 Q07889 1/20 0.35
MAOB P27338 1/20 0.35
HTR6 P50406 1/20 0.35
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL5773747 0.72 NPY5R (0.51) NPY5RSOS1KMT2AHTR2C
SCHEMBL5775698 0.72 NPY5R (0.51) NPY5RGABRA1GABRB2SOS1MAOB
Hydrochloric Acid SCHEMBL5774370 0.71 NPY5R (0.50) NPY5RGABRA1GABRB2SOS1KMT2A
Hydrochloric Acid SCHEMBL5777672 0.71 NPY5R (0.49) NPY5RGABRA1GABRB2SOS1MAOB
SCHEMBL5774487 0.69 NPY5R (1.00) NPY5RKMT2A
SCHEMBL5772492 0.64 GABRA1 (0.43) ALDH1A1GABRA1GABRB2NSD3KMT2A
SCHEMBL7700269 0.64 PDE10A (0.50) ALDH1A1GABRA1GABRB2MAOBHTR6
SCHEMBL1772609 0.62 L3MBTL1 (0.53) NPY5RALDH1A1KMT2A
SCHEMBL5774223 0.62 NPY5R (1.00) NPY5R
SCHEMBL5772338 0.61 KCNH2 (0.42) NPY5R

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 7 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
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