SCHEMBL5772713

SCHEMBL5772713

Cc1nc(N2CCC[C@H]2CO)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.48
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
PDK2 Q15119 2/20 0.41
PDK4 Q16654 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
MAP2K7 O14733 1/20 0.40
SYK P43405 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
PAK4 O96013 1/20 0.38
PDE10A Q9Y233 3/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL5773654 0.97 NPY5R (0.52) NPY5RCCNE2CDK4CCND1CCNE1
Hydrochloric Acid SCHEMBL5776456 0.96 NPY5R (0.51) NPY5RCCNE2CDK4CCND1CCNE1
SCHEMBL5772751 0.88 NPY5R (0.60) NPY5RPDK2PDK4SYK
SCHEMBL5775790 0.86 NPY5R (0.61) NPY5R
Hydrochloric Acid SCHEMBL7184085 0.86 NPY5R (0.58) NPY5RPDK2PDK4SYK
SCHEMBL5769714 0.85 NPY5R (0.53) NPY5RSYKADORA3ADORA2AADORA1
SCHEMBL5773813 0.82 NPY5R (0.58) NPY5RSYK
SCHEMBL5771952 0.82 KMT2A (0.45) NPY5RSYKPDE10A
SCHEMBL5776510 0.81 NPY5R (0.44) NPY5RADORA3ADORA2AADORA1
Hydrochloric Acid SCHEMBL5775998 0.80 NPY5R (0.56) NPY5RSYK

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 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