SCHEMBL859937

SCHEMBL859937

COc1ccc(CNc2cc(N3CC[C@@H]([AsH2])C3)cnn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.46
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
HRH1 P35367 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
TP53 P04637 1/20 0.38
CCND3 P30281 1/20 0.38
CDK6 Q00534 1/20 0.38
PDE2A O00408 1/20 0.37

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
SCHEMBL859938 1.00 HRH4 (0.46) HRH4RAB9AMAPTNPC1HRH1
SCHEMBL861160 0.88 HRH4 (0.48) HRH4RAB9AMAPTNPC1CCND3
SCHEMBL861161 0.88 HRH4 (0.48) HRH4RAB9AMAPTNPC1CCND3
SCHEMBL1588917 0.88 HRH4 (0.46) HRH4RAB9AMAPTNPC1HRH1
SCHEMBL1589899 0.87 HRH4 (0.64) HRH4
SCHEMBL847193 0.81 ADRB1 (0.50) HRH4RAB9AMAPTNPC1CHRNB2
SCHEMBL860364 0.76 HRH4 (0.70) HRH4
SCHEMBL860365 0.76 HRH4 (0.70) HRH4
SCHEMBL860990 0.76 HRH4 (0.44) HRH4RAB9ANPC1TP53
SCHEMBL860989 0.76 HRH4 (0.44) HRH4RAB9ANPC1TP53

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