SCHEMBL861160

SCHEMBL861160

Cc1ccc(CNc2cc(N3CC[C@@H]([AsH2])C3)cnn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.48
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.35
CCND3 P30281 1/20 0.35
CDK6 Q00534 1/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL861161 1.00 HRH4 (0.48) HRH4KDM4EALDH1A1HPGDNPC1
SCHEMBL859937 0.88 HRH4 (0.46) HRH4NPC1RAB9AMAPTCCND3
SCHEMBL859938 0.88 HRH4 (0.46) HRH4NPC1RAB9AMAPTCCND3
SCHEMBL1588725 0.87 HRH4 (0.48) HRH4KDM4EALDH1A1HPGD
SCHEMBL13574769 0.86 HRH4 (0.67) HRH4
SCHEMBL847541 0.86 HRH4 (0.67) HRH4
SCHEMBL847981 0.79 ADRB1 (0.47) HRH4KDM4EALDH1A1HPGDNPC1
SCHEMBL860364 0.79 HRH4 (0.70) HRH4
SCHEMBL860365 0.79 HRH4 (0.70) HRH4
SCHEMBL860989 0.78 HRH4 (0.44) HRH4KDM4EALDH1A1HPGDNPC1

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
JP-2011524363-A 2011-09-01 JP claimed
EP-2315521-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR Janssen Pharmaceutica NV (BE) 2011-05-04 EP claimed
WO-2009152325-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 WO claimed