SCHEMBL1986017

SCHEMBL1986017

CN(C(=O)O)C1CCN(c2cc(COCc3ccccc3)nc(N)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.51
HRH3 Q9Y5N1 3/20 0.43
NAPEPLD Q6IQ20 1/20 0.40
CHRM4 P08173 1/20 0.39
GHSR Q92847 1/20 0.39
MAP4K4 O95819 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
MCHR1 Q99705 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
SCHEMBL1983646 0.92 HRH3 (0.48) HRH4HRH3GHSR
SCHEMBL2013817 0.83 HRH3 (0.50) HRH4HRH3MAP4K4
SCHEMBL4392709 0.80 HRH4 (0.66) HRH4HRH3
SCHEMBL603250 0.79 HRH4 (0.78) HRH4HRH3
SCHEMBL6023054 0.79 HTR3A (0.54) HRH4MAP4K4
SCHEMBL5076739 0.76 LMNA (0.56) HRH4HRH3MAP4K4
SCHEMBL6023882 0.76 LMNA (0.56) HRH4HRH3MAP4K4
SCHEMBL1775506 0.76 LMNA (0.56) HRH4HRH3MAP4K4
SCHEMBL3205164 0.76 HRH4 (0.51) HRH4HRH3NAPEPLD
SCHEMBL14574680 0.75 HRH3 (0.56) HRH4HRH3

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
EP-2516420-B1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS MEDICIS PHARMACEUTICAL CORP (US) 2018-08-22 EP disclosed
EP-2516420-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS Palau Pharma, S.A. (ES) 2012-10-31 EP disclosed
WO-2011076878-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS PALAU PHARMA, S.A. (ES) 2011-06-30 WO disclosed