SCHEMBL540380

SCHEMBL540380

CCCCCCCCC=CCCCCCCCC(=O)NCCN(CCN)CCNC(=O)CCCCCCCC=CCCCCCCCC.OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.58
TRPV1 Q8NER1 2/20 0.55
CNR1 P21554 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
CNR2 P34972 1/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
ALOX12 P18054 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
EPHX2 P34913 2/20 0.54
ENPP2 Q13822 1/20 0.51
LPAR1 Q92633 1/20 0.51
LPAR2 Q9HBW0 1/20 0.51

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
SCHEMBL540111 0.90 SLC6A5 (0.71) SLC6A5TRPV1CNR1ALDH1A1HPGD
SCHEMBL5520639 0.90 SLC6A5 (0.71) SLC6A5TRPV1CNR1ALDH1A1HPGD
SCHEMBL5520632 0.90 SLC6A5 (0.71) SLC6A5TRPV1CNR1ALDH1A1HPGD
SCHEMBL3505712 0.90 SLC6A5 (0.71) SLC6A5TRPV1CNR1ALDH1A1HPGD
SCHEMBL13114491 0.85 LPAR1 (0.56) SLC6A5TRPV1CNR1ALDH1A1HPGD
SCHEMBL24022038 0.85 CNR1 (0.67) TRPV1CNR1ALDH1A1HPGDCNR2
SCHEMBL29360245 0.85 CNR1 (0.67) TRPV1CNR1ALDH1A1HPGDCNR2
SCHEMBL4397932 0.85 CNR1 (0.67) TRPV1CNR1ALDH1A1HPGDCNR2
SCHEMBL4397935 0.85 CNR1 (0.67) TRPV1CNR1ALDH1A1HPGDCNR2
SCHEMBL13114485 0.84 LPAR1 (0.55) SLC6A5TRPV1CNR1ALDH1A1HPGD

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
EP-2414322-A2 POLYAMINE DERIVATIVES Egen, Inc. (US) 2012-02-08 EP disclosed