SCHEMBL5773654

SCHEMBL5773654

Cc1nc(N2CCCCC2CO)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.52
MAP2K7 O14733 1/20 0.43
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
PDK2 Q15119 2/20 0.39
PDK4 Q16654 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
SYK P43405 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
Hydrochloric Acid SCHEMBL5776456 0.99 NPY5R (0.51) NPY5RMAP2K7CCNE2CDK4CCND1
SCHEMBL5772713 0.97 NPY5R (0.48) NPY5RMAP2K7CCNE2CDK4CCND1
SCHEMBL5772751 0.91 NPY5R (0.60) NPY5RPDK2PDK4SYKALDH1A1
SCHEMBL5775790 0.89 NPY5R (0.61) NPY5RALDH1A1MAPK1MAPTHPGD
Hydrochloric Acid SCHEMBL7184085 0.89 NPY5R (0.58) NPY5RPDK2PDK4SYKALDH1A1
SCHEMBL5773813 0.85 NPY5R (0.58) NPY5RSYKALDH1A1MAPK1MAPT
SCHEMBL5776510 0.84 NPY5R (0.44) NPY5RALDH1A1HPGDADORA3ADORA2A
Hydrochloric Acid SCHEMBL5775998 0.83 NPY5R (0.56) NPY5RSYKALDH1A1MAPK1MAPT
SCHEMBL5769714 0.82 NPY5R (0.53) NPY5RSYKALDH1A1MAPK1MAPT
SCHEMBL5771896 0.79 NPY5R (0.52) NPY5RKDM4E

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 4 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-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP claimed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO claimed