SCHEMBL9617461

SCHEMBL9617461

CCCP(=O)(CCCN)CCCN

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.60
GABBR1 Q9UBS5 3/20 0.60
GABRR1 P24046 1/20 0.60
CYP1A2 P05177 2/20 0.48
TSHR P16473 1/20 0.48
THPO P40225 1/20 0.48
LMNA P02545 2/20 0.46
BLM P54132 2/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DNM1 Q05193 3/20 0.39

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
SCHEMBL9617468 0.86 LMNA (0.58) GABBR2GABBR1GABRR1CYP1A2TSHR
SCHEMBL10426422 0.83 TRPM8 (0.44) GABBR2GABBR1GABRR1CYP3A4
SCHEMBL11577875 0.81 GABBR2 (0.58) GABBR2GABBR1GABRR1CYP1A2TSHR
SCHEMBL1726162 0.80 HPGD (0.52) GABBR2GABBR1GABRR1TSHRCYP3A4
SCHEMBL11889581 0.80 HPGD (0.52) GABBR2GABBR1GABRR1TSHRCYP3A4
SCHEMBL1725975 0.80 HPGD (0.52) GABBR2GABBR1GABRR1TSHRCYP3A4
Hexadecylamine SCHEMBL27617657 0.80 DNM1 (0.62) GABBR2GABBR1GABRR1TSHRMEN1
SCHEMBL2353617 0.80 GABBR2 (0.83) GABBR2GABBR1GABRR1CYP1A2TSHR
SCHEMBL563253 0.80 L3MBTL1 (0.48) GABBR2GABBR1GABRR1
SCHEMBL409091 0.76 LPAR3 (0.56) TSHR

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
JP-4039324-A None JP disclosed
JP-H0439324-A EPOXY RESIN HARDENER AND PHOSPHORUS-CONTAINING EPOXY RESIN COMPOSITION PRODUCED BY USING THE SAME NIPPON CHEM IND CO LTD 1992-02-10 JP disclosed