SCHEMBL4352227

SCHEMBL4352227

CN1CC[N]C(c2nc3cc(Br)ccc3[nH]2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.35
HRH3 Q9Y5N1 2/20 0.35
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
SLC6A4 P31645 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PAX8 Q06710 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4348250 0.86 LMNA (0.39) HRH4HTTMEN1POLBKMT2A
SCHEMBL4350354 0.85 MPO (0.38) HRH4HRH3SLC6A4KMT2AALDH1A1
SCHEMBL4356635 0.85 HRH4 (0.47) HRH4HRH3HTTPOLBALDH1A1
SCHEMBL4355101 0.83 ALDH1A1 (0.38) HRH4HRH3MEN1POLBKMT2A
SCHEMBL4353639 0.81 KDM4E (0.40) HTTMEN1POLBKMT2AALDH1A1
SCHEMBL4356646 0.80 HRH4 (0.45) HRH4HTTHCRTR1HCRTR2LMNA
SCHEMBL4354354 0.80 HRH4 (0.44) HRH4HRH3ALDH1A1HCRTR1HCRTR2
SCHEMBL4354372 0.78 ALDH1A1 (0.42) HTTPOLBKMT2AALDH1A1LMNA
SCHEMBL4103942 0.77 KCNH2 (0.40) HRH4HCRTR1HCRTR2
SCHEMBL4350617 0.73 HCRTR1 (0.38) HRH4HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed