SCHEMBL7102444

SCHEMBL7102444

Fc1cc(NN2CCCC2)cnc1Br

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 2/20 0.38
FPR2 P25090 2/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32

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
SCHEMBL7099156 0.98 FPR3 (0.37) FPR3FPR2MEN1KMT2ARAB9A
SCHEMBL7102609 0.98 FPR3 (0.37) FPR3FPR2MEN1KMT2ARAB9A
SCHEMBL7101903 0.81 METAP2 (0.32) MEN1KMT2AKCNQ3KCNQ2
SCHEMBL7100962 0.80 CHRNB2 (0.42) MEN1KMT2ARAB9A
SCHEMBL7097828 0.80 MAPT (0.34) MEN1KMT2AKCNQ3KCNQ2
SCHEMBL7097813 0.80 MAPT (0.34) MEN1KMT2AKCNQ3KCNQ2
SCHEMBL7099497 0.79 CHRNB2 (0.41) MEN1KMT2ARAB9A
SCHEMBL7487600 0.79 CHRNB2 (0.41) MEN1KMT2ARAB9A
SCHEMBL7103868 0.74 CHRNB2 (0.48) MEN1KMT2ARAB9A
SCHEMBL7098386 0.73 ALDH1A1 (0.47)

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