SCHEMBL12296343

SCHEMBL12296343

C=C1CCN(c2ccc(CN)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
TMPRSS6 Q8IU80 2/20 0.37
ST14 Q9Y5Y6 2/20 0.37
KMT2A Q03164 2/20 0.37
RAD52 P43351 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LOXL2 Q9Y4K0 3/20 0.37
ABAT P80404 1/20 0.35
F10 P00742 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 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
SCHEMBL12294725 0.83 HRH3 (0.48) HRH3ITGB3ITGA2BF2PRSS1
SCHEMBL112580 0.79 ALDH1A1 (0.54) KMT2ARAD52RXFP1MAPTKDM4E
SCHEMBL7365166 0.79 CHKA (0.50) HRH3F2PRSS1PRSS2PRSS3
SCHEMBL27483821 0.78 POLB (0.40) HRH3ITGB3ITGA2BF2PRSS1
SCHEMBL1645442 0.78 MAPT (0.57) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL111728 0.78 ALDH1A1 (0.57) KMT2AMAPTKDM4EGAAALDH1A1
SCHEMBL4029277 0.78 ALDH1A1 (0.57) KMT2AMAPTKDM4EGAAALDH1A1
SCHEMBL4029118 0.78 ALDH1A1 (0.57) KMT2AMAPTKDM4EGAAALDH1A1
SCHEMBL39888 0.76 LMNA (0.52) KMT2AMAPTKDM4EGAAALDH1A1
SCHEMBL27603139 0.76 HRH3 (0.41) HRH3ITGB3ITGA2BF2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011113606-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2011-09-22 WO disclosed