SCHEMBL4552843

SCHEMBL4552843

O=c1ccnc(CC(F)(F)F)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
GPR84 Q9NQS5 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
PDE3B Q13370 8/20 0.34
PDE3A Q14432 8/20 0.34
CACNA1H O95180 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AR P10275 1/20 0.32
PDE2A O00408 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL10927286 0.74
SCHEMBL14639314 0.74
SCHEMBL3823910 0.74
Hydrochloric Acid SCHEMBL30429172 0.72 GPR84 (0.37) POLBLMNAGPR84MEN1KMT2A
SCHEMBL2483213 0.71 PDE3B (0.42) POLBLMNAGPR84MEN1KMT2A
SCHEMBL4016016 0.71 PDE3B (0.51) GPR84MEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL3855002 0.69 HCAR2 (0.42) POLBLMNAGPR84MEN1KMT2A
SCHEMBL6294711 0.69 GPR84 (0.38) POLBGPR84MEN1KMT2ASMN1; SMN2
SCHEMBL1839150 0.69 GPR84 (0.35) POLBLMNAGPR84MEN1KMT2A
SCHEMBL7419500 0.69 GABRP (0.41) POLBLMNAGPR84MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397351-B1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
CN-1146455-C 1,2,4,5-tetrahydro-benzo[d] azepine compound - 2004-04-21 CN disclosed
CN-1283623-A 1,2,4,5-tetrahydro-benzo[d] azepine compound HAFMAN RAROCHE S A F (CH) 2001-02-14 CN disclosed