SCHEMBL8799114

SCHEMBL8799114

NCCCOc1cccc(CN2CCCCC2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.48
KLKB1 P03952 1/20 0.47
HRH2 P25021 4/20 0.47
HRH3 Q9Y5N1 2/20 0.44
ACACB O00763 1/20 0.44
APP P05067 1/20 0.43
MCHR1 Q99705 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8800689 0.82 RAB9A (0.53) L3MBTL1POLBHRH3APPMCHR1
SCHEMBL8799862 0.81 KMT2A (0.60) L3MBTL1HRH3KMT2A
SCHEMBL9551700 0.80 HRH2 (0.59) HRH2HRH3
SCHEMBL17048467 0.80 L3MBTL1 (0.67) L3MBTL1HRH3KMT2A
SCHEMBL10679839 0.79 HRH2 (0.61) HRH2HRH3
SCHEMBL5288663 0.79 HRH2 (0.61) HRH2HRH3
SCHEMBL10689006 0.79 HRH2 (0.61) HRH2HRH3
SCHEMBL30597717 0.79 HRH2 (0.61) HRH2HRH3
SCHEMBL10527698 0.79 HRH2 (0.61) HRH2HRH3
SCHEMBL8269584 0.79 L3MBTL1 (0.69) L3MBTL1HRH3KMT2A

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-0641789-B1 BENZOTHIADIAZINE DERIVATIVE TAIHO PHARMACEUTICAL CO LTD (JP) 1997-12-03 EP disclosed
US-5401739-A Benzothiadiazine derivatives TAIHO PHARMACEUTICAL CO. LTD. (JP) 1995-03-28 US disclosed
EP-0641789-A1 BENZOTHIADIAZINE DERIVATIVE TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1995-03-08 EP disclosed