SCHEMBL6265671

SCHEMBL6265671

Cc1ccccc1-c1cccnc1C(=O)N1CCCC1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.46
GRM5 P41594 1/20 0.45
GRM1 Q13255 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
PDE10A Q9Y233 3/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HCRTR2 O43614 2/20 0.43
PDK2 Q15119 1/20 0.43
NAMPT P43490 1/20 0.40
SLC6A7 Q99884 1/20 0.40
PLA2G7 Q13093 1/20 0.40

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
SCHEMBL6263224 0.89 GAA (0.50) HCRTR1GRM5GRM1GAAHPGD
SCHEMBL6261879 0.84 HCRTR2 (0.46) HCRTR1GRM5GRM1GAAHPGD
SCHEMBL7513166 0.80 GAA (0.49) HCRTR1GRM5GRM1GAAHPGD
SCHEMBL6305666 0.79 HCRTR2 (0.44) HCRTR1GRM5GRM1GAAHPGD
SCHEMBL7513161 0.78 KMT2A (0.47) HCRTR1GRM5GRM1GAAHPGD
SCHEMBL7456545 0.76 HPGD (0.55) GRM5GRM1GAAHPGDPDE10A
SCHEMBL22054767 0.76 KMT2A (0.59) GAAHPGDMEN1TSHRKMT2A
SCHEMBL5909267 0.76 KMT2A (0.53) HCRTR1GAAHPGDMEN1TSHR
SCHEMBL15064844 0.75 HCRTR1 (0.58) HCRTR1GRM5GRM1GAAHPGD
SCHEMBL12754315 0.75 HSD11B1 (0.51) HCRTR1GRM5GAAHPGDMEN1

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-1494672-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2005-01-12 EP disclosed
WO-2003086398-A1 AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2003-10-23 WO disclosed