SCHEMBL5777868

SCHEMBL5777868

CCN(CC)c1nc(C)nc2cc(C)[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.63
MAP2K7 O14733 1/20 0.41
TERT O14746 1/20 0.36
CRHR1 P34998 6/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PGK1 P00558 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 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
SCHEMBL28099824 0.69 NPY5R (0.50) NPY5RSMN1; SMN2
SCHEMBL5775761 0.69 NPY5R (0.50) NPY5RSMN1; SMN2
SCHEMBL5775448 0.69 NPY5R (0.50) NPY5RSMN1; SMN2
SCHEMBL26536326 0.67 NPY5R (0.49) NPY5RMAP2K7CRHR1SMN1; SMN2LMNA
SCHEMBL24649607 0.66 ACP1 (0.66) NPY5RSMN1; SMN2LMNA
SCHEMBL26534113 0.65 NPY5R (0.47) NPY5RMAP2K7CRHR1SMN1; SMN2
SCHEMBL9127003 0.64 SMN1; SMN2 (0.42) NPY5RMAP2K7CRHR1SMN1; SMN2PGK1
SCHEMBL10671138 0.60 SMN1; SMN2 (0.39) NPY5RMAP2K7CRHR1SMN1; SMN2PGK1
Hydrochloric Acid SCHEMBL5777141 0.59 NPY5R (0.94) NPY5R
SCHEMBL20712932 0.58 NPY5R (0.39) NPY5RSMN1; SMN2LMNA

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