SCHEMBL6203421

SCHEMBL6203421

Cc1ccc(C(=O)N2CCCCC2C(N)=O)cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.52
CNR2 P34972 3/20 0.50
CNR1 P21554 1/20 0.50
GRM5 P41594 6/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.47
JAK2 O60674 1/20 0.46
ENPP2 Q13822 2/20 0.46
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46

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
SCHEMBL5909307 1.00 VNN1 (0.52) VNN1CNR2CNR1GRM5GAA
SCHEMBL5909193 1.00 VNN1 (0.52) VNN1CNR2CNR1GRM5GAA
SCHEMBL5909277 0.84 ALDH1A1 (0.60) CNR2CNR1ALDH1A1
SCHEMBL6275232 0.84 ALDH1A1 (0.60) CNR2CNR1ALDH1A1
SCHEMBL5909210 0.82 CNR2 (0.48) VNN1CNR2HPGDALDH1A1JAK2
SCHEMBL5909207 0.82 CNR2 (0.48) VNN1CNR2HPGDALDH1A1JAK2
SCHEMBL5909232 0.81 ALDH1A1 (0.48) VNN1CNR2CNR1GRM5ALDH1A1
SCHEMBL5909241 0.80 ALDH1A1 (0.52) VNN1GAAHPGDALDH1A1SPHK2
SCHEMBL5909250 0.80 ALDH1A1 (0.52) VNN1GAAHPGDALDH1A1SPHK2
SCHEMBL17600726 0.80 GRM5 (0.55) VNN1CNR2CNR1GRM5GAA

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