SCHEMBL5772751

SCHEMBL5772751

CCC1CCCCN1c1nc(C)[nH]c2cc(-c3ccccc3)nc1-2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.60
HPGD P15428 3/20 0.45
MAPT P10636 3/20 0.45
HIF1A Q16665 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
DAGLA Q9Y4D2 2/20 0.39
GRIN2B Q13224 1/20 0.39
HTT P42858 1/20 0.38
SYK P43405 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
TP53 P04637 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 SCHEMBL7184085 0.98 NPY5R (0.58) NPY5RHPGDMAPTHIF1AALDH1A1
SCHEMBL5773654 0.91 NPY5R (0.52) NPY5RHPGDMAPTHIF1AALDH1A1
Hydrochloric Acid SCHEMBL5776456 0.90 NPY5R (0.51) NPY5RHPGDMAPTHIF1AALDH1A1
SCHEMBL5775790 0.90 NPY5R (0.61) NPY5RHPGDMAPTHIF1AALDH1A1
SCHEMBL5772713 0.88 NPY5R (0.48) NPY5RSYKPDK2PDK4
SCHEMBL5773813 0.86 NPY5R (0.58) NPY5RHPGDMAPTALDH1A1KDM4E
SCHEMBL5776510 0.85 NPY5R (0.44) NPY5RHPGDALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL5775998 0.84 NPY5R (0.56) NPY5RHPGDMAPTALDH1A1KDM4E
SCHEMBL5769714 0.83 NPY5R (0.53) NPY5RHPGDMAPTALDH1A1KDM4E
SCHEMBL5771896 0.80 NPY5R (0.52) NPY5RKDM4EL3MBTL1KMT2A

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 2 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