SCHEMBL7097546

SCHEMBL7097546

CCOc1cc(NN2CCCCCC2)cnc1Br

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 3/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 3/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7102266 1.00 CHRNB2 (0.47) CHRNB2CHRNA4MEN1KMT2ARAB9A
SCHEMBL7103868 0.99 CHRNB2 (0.48) CHRNB2CHRNA4MEN1KMT2ARAB9A
SCHEMBL7487600 0.75 CHRNB2 (0.41) CHRNB2CHRNA4MEN1KMT2ARAB9A
SCHEMBL7102609 0.75 FPR3 (0.37) MEN1KMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL7099156 0.75 FPR3 (0.37) MEN1KMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL7099497 0.75 CHRNB2 (0.41) CHRNB2CHRNA4MEN1KMT2ARAB9A
SCHEMBL7100962 0.73 CHRNB2 (0.42) CHRNB2CHRNA4MEN1KMT2ARAB9A
SCHEMBL7102444 0.73 FPR3 (0.38) MEN1KMT2ARAB9A
SCHEMBL7481887 0.71 CHRNB2 (0.45) CHRNB2CHRNA4MEN1KMT2APOLB
SCHEMBL7105349 0.71 CHRNB2 (0.45) CHRNB2CHRNA4MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003500402-A 2003-01-07 JP claimed
CN-1361774-A Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments ABBOTT INC (US) 2002-07-31 CN claimed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 EP claimed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 WO claimed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 EP disclosed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 WO disclosed