SCHEMBL4556640

SCHEMBL4556640

C(=C1CNCS1)c1ccc2c(c1)CN(c1nc3ccccc3o1)CCO2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.34
HTR3A P46098 1/20 0.34
HDAC11 Q96DB2 1/20 0.33
FAAH O00519 6/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
PHGDH O43175 1/20 0.32
SORD Q00796 2/20 0.32
CRBN Q96SW2 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 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
SCHEMBL1997107 0.81 HDAC11 (0.41) CHRNA7HTR3AHDAC11FAAHGAA
SCHEMBL1992434 0.80 GSK3B (0.48) GAAKMT2ASMN1; SMN2
SCHEMBL1992433 0.80 GSK3B (0.48) GAAKMT2ASMN1; SMN2
SCHEMBL1990714 0.68 ALDH1A1 (0.40) HDAC11GAAKMT2ALMNATSHR
SCHEMBL17957800 0.67 LMNA (0.48) HDAC11GAAKMT2AHDAC6LMNA
SCHEMBL17957759 0.66 HDAC6 (0.63) HDAC11HDAC6LMNATSHRTP53
SCHEMBL496869 0.63 CYP3A4 (0.49) KMT2ALMNATSHRTP53
SCHEMBL21979404 0.62 ELANE (0.63) CHRNA7HTR3AFAAHGAAKMT2A
SCHEMBL195554 0.61 HTR6 (0.53) CHRNA7HTR3AGAAKMT2ALMNA
SCHEMBL2056153 0.61 GAA (0.58) CHRNA7HTR3AGAAKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2077846-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE Piramal Life Sciences Limited (IN) 2009-07-15 EP claimed
WO-2008053446-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-05-08 WO claimed
EP-2077846-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE Piramal Life Sciences Limited (IN) 2009-07-15 EP disclosed
WO-2008053446-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-05-08 WO disclosed