SCHEMBL4564608

SCHEMBL4564608

CN(C)C1CCN(C=O)C1c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYGL P06737 10/20 0.42
HRH4 Q9H3N8 7/20 0.41
HRH3 Q9Y5N1 5/20 0.41
HRH1 P35367 1/20 0.37
CYP51A1 Q16850 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
IDH1 O75874 1/20 0.35

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
SCHEMBL4564609 0.64 CYP2A6 (0.35) HRH4
SCHEMBL7859535 0.62 HRH4 (0.46) HRH4HRH3MEN1RAB9AKMT2A
SCHEMBL6111637 0.61 F10 (0.52)
SCHEMBL4324479 0.61 HRH4 (0.62) PYGLHRH4HRH3HRH1MEN1
SCHEMBL29952897 0.59 CYP2A6 (0.58) HRH4HRH3HRH1MEN1RAB9A
SCHEMBL286735 0.59 CYP2A6 (0.58) HRH4HRH3HRH1MEN1RAB9A
SCHEMBL27518830 0.59 GRIN2B (0.48) PYGLHRH4HRH3MEN1RAB9A
SCHEMBL9316701 0.59 DAO (0.44) PYGLHRH4HRH3MEN1RAB9A
Dimethylformamide SCHEMBL27616463 0.59 AKR1B1 (0.46) PYGLHRH4HRH3MEN1RAB9A
SCHEMBL8350520 0.58 F7 (0.46) HRH4HRH3MEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010172-A2 INDOLES AND BENZOIMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-01-07 EP disclosed
WO-2007117401-A2 INDOLES AND BENZOIMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 WO disclosed