SCHEMBL7743513

SCHEMBL7743513

NCCCCCC(N)OC(=O)C(O)C(O)C(=O)OC(N)CCCCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.44
CPB2 Q96IY4 6/20 0.41
RNPEP Q9H4A4 1/20 0.38
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLG P00747 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
SLC6A2 P23975 1/20 0.34
RECQL P46063 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPA1 O75762 1/20 0.34
PAOX Q6QHF9 1/20 0.33
DPP7 Q9UHL4 3/20 0.32

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
SCHEMBL4270854 0.98 GSR (0.45) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL9015071 0.85 GSR (0.53) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL28860819 0.84 GABRR1 (0.33) GSR
SCHEMBL2047412 0.82 GSR (0.55) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL25186742 0.82 GSR (0.48) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL28063000 0.82 GSR (0.48) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL2230619 0.82 GSR (0.48) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL11472654 0.80 GSR (0.47) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL302961 0.80 GSR (0.47) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL27753145 0.80 GSR (0.30) GSR

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
CN-109336757-A A kind of preparation method and applications of trans cvclohexvl diamines tartrate 潍坊汇韬化工有限公司 2019-02-15 CN claimed
CN-109336757-A A kind of preparation method and applications of trans cvclohexvl diamines tartrate 潍坊汇韬化工有限公司 2019-02-15 CN disclosed
WO-2001022915-A2 PROCESS FOR PRODUCTION OF CIS-DICHLORO-(TRANS-1-1,2-CYCLOHEXANEDIAMINE)PLATINUM(II) PLIVA-LACHEMA A.S. (CZ) 2001-04-05 WO disclosed