SCHEMBL3386979

SCHEMBL3386979

[CH2]CCCCCN1CCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.62
CXCR4 P61073 2/20 0.45
MAPT P10636 2/20 0.43
SIGMAR1 Q99720 2/20 0.41
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL5397114 0.95 HRH3 (0.70) HRH3CXCR4MAPTSIGMAR1CYP1A2
SCHEMBL3389073 0.95 HRH3 (0.70) HRH3CXCR4MAPTSIGMAR1CYP1A2
SCHEMBL9216464 0.95 HRH3 (0.70) HRH3CXCR4MAPTSIGMAR1CYP1A2
SCHEMBL5388937 0.95 HRH3 (0.70) HRH3CXCR4MAPTSIGMAR1CYP1A2
SCHEMBL6716650 0.95 HRH3 (0.70) HRH3CXCR4MAPTSIGMAR1CYP1A2
SCHEMBL5397440 0.95 HRH3 (0.70) HRH3CXCR4MAPTSIGMAR1CYP1A2
SCHEMBL11460076 0.92 HRH3 (0.75) HRH3CXCR4MAPTSIGMAR1CYP1A2
SCHEMBL5385522 0.92 HRH3 (0.75) HRH3CXCR4MAPTSIGMAR1CYP1A2
SCHEMBL10709367 0.92 HRH3 (0.75) HRH3CXCR4MAPTSIGMAR1CYP1A2
SCHEMBL6715590 0.92 HRH3 (0.75) HRH3CXCR4MAPTSIGMAR1CYP1A2

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
WO-2010094721-A1 PIPERIDIN-PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H4 RECEPTOR PALAU PHARMA, S. A. (ES) 2010-08-26 WO disclosed
WO-2010043633-A1 2H-PYRAZOLO [4,3-D]PYRIMIDIN-5-AMINE DERIVATIVES AS H4 HISTAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGIC, IMMUNOLOGICAL AND INFLAMMATORY DISEASES PALAU PHARMA, S. A. (ES) 2010-04-22 WO disclosed