SCHEMBL7986647

SCHEMBL7986647

CCCCc1nc(CBr)cn1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TLR7 Q9NYK1 7/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTR6 P50406 1/20 0.32
FAAH O00519 1/20 0.32
TLR8 Q9NR97 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
NR1H2 P55055 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 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
SCHEMBL7986418 0.96 MEN1 (0.34) MEN1KMT2APOLBMAPTTLR7
SCHEMBL7987489 0.92 L3MBTL1 (0.34) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL7975881 0.88 MEN1 (0.35) MEN1KMT2APOLBMAPTTLR7
SCHEMBL7987559 0.87 L3MBTL1 (0.36) L3MBTL1PDE10AHTR6FAAHHSP90AA1
SCHEMBL7990760 0.85 L3MBTL1 (0.33) MEN1KMT2APOLBMAPTTLR7
SCHEMBL8954140 0.82 L3MBTL1 (0.42) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL7994297 0.80 GPR119 (0.35) L3MBTL1PDE10AHTR6FAAHNR1H2
SCHEMBL7987345 0.80 L3MBTL1 (0.33) MEN1KMT2APOLBMAPTTLR7
SCHEMBL12764747 0.76 SCN3A (0.40) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL10441676 0.76 KMT2A (0.34) MEN1KMT2APOLBMAPTTLR7

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
US-6258800-B1 Prodrugs of benzofuranylethyl carbamate NK1 antagonists WARNER-LAMBERT COMPANY 2001-07-10 US disclosed
US-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed