SCHEMBL9032202

SCHEMBL9032202

NCCc1cc(Br)sc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.40
HTR2A P28223 3/20 0.37
HTR2C P28335 1/20 0.37
MEN1 O00255 2/20 0.37
RAD52 P43351 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAPDH P04406 1/20 0.37
THRB P10828 1/20 0.37
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AGO2 Q9UKV8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34

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
Bromide SCHEMBL9032046 0.98 TAAR1 (0.39) TAAR1HTR2AHTR2CMEN1RAD52
SCHEMBL30940213 0.81
SCHEMBL3466429 0.74 TYR (0.37) MEN1KMT2ATDP1MAPTALOX15
SCHEMBL17783706 0.74 MAPT (0.33) MAPTL3MBTL1
Hydrochloric Acid SCHEMBL6643071 0.74 TAAR1 (0.38) TAAR1HTR2AHTR2CMEN1RAD52
SCHEMBL2592432 0.73
SCHEMBL23094091 0.72 MAPT (0.33) MAPTL3MBTL1
SCHEMBL16760670 0.72 MAPT (0.33) MAPTL3MBTL1
SCHEMBL4235310 0.72 MAPT (0.33) MAPTL3MBTL1
SCHEMBL3469023 0.72 MAPT (0.33) MAPTL3MBTL1

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-0398504-B1 Thieno[3,4-d]azepine derivatives, process for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LTD (GB) 1996-06-19 EP disclosed
US-5028602-A Thieno-(3,4-d)azepines, central nervous system disorders LILLY INDUSTRIES LIMITED (GB) 1991-07-02 US disclosed
EP-0398504-A1 Thieno[3,4-d]azepine derivatives, process for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1990-11-22 EP disclosed