SCHEMBL8614

SCHEMBL8614

O=C(O)NCCc1cc2cccc(Cl)c2nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HIF1A Q16665 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
P2RX7 Q99572 4/20 0.38
PIK3CD O00329 1/20 0.38
HPGD P15428 1/20 0.38
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 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
SCHEMBL716341 0.86 L3MBTL1 (0.50) DRD4DRD3L3MBTL1FAAHALDH1A1
SCHEMBL3711668 0.86 MTNR1A (0.39) DRD4DRD3L3MBTL1HIF1ATAAR1
SCHEMBL3716004 0.82 GHSR (0.38) DRD4DRD3L3MBTL1ALDH1A1CYP1A2
SCHEMBL3705670 0.80 PIK3CD (0.43) ALDH1A1CYP1A2CYP3A4CYP2C19P2RX7
SCHEMBL4437045 0.78 L3MBTL1 (0.40) DRD4DRD3L3MBTL1FAAHALDH1A1
SCHEMBL7307 0.78 ALDH1A1 (0.40) DRD4DRD3L3MBTL1FAAHALDH1A1
SCHEMBL845139 0.77 PIK3CD (0.53) FAAHALDH1A1PIK3CD
SCHEMBL713671 0.77 DRD4 (0.66) DRD4DRD3L3MBTL1FAAHALDH1A1
SCHEMBL7435 0.75 TAAR1 (0.49) DRD4DRD3L3MBTL1CYP1A2CYP3A4
SCHEMBL1886805 0.75 KMT2A (0.46) DRD4DRD3L3MBTL1FAAHALDH1A1

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-2499126-A1 FUSED BICYCLIC PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 EP disclosed
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP disclosed
WO-2011058109-A1 FUSED BICYCLIC PYRROLE AND IMIDAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed
WO-2011058113-A1 FUSED BICYCLIC PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO disclosed