SCHEMBL6446995

SCHEMBL6446995

NC(=O)CCCCn1cccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
THRB P10828 2/20 0.40
FDPS P14324 1/20 0.40
POLB P06746 1/20 0.38
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
DAO P14920 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTT P42858 1/20 0.36
NOS1 P29475 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
SCHEMBL4797270 0.94 LMNA (0.41) LMNATHRBFDPSPOLBKMT2A
SCHEMBL1178459 0.89 LMNA (0.45) LMNATHRBFDPSPOLBKMT2A
SCHEMBL5521617 0.85 TBXAS1 (0.49) LMNATHRBFDPSHTT
SCHEMBL12863692 0.84 THRB (0.42) LMNATHRBFDPSPOLBKMT2A
SCHEMBL9845290 0.84 TBXAS1 (0.51) LMNAKMT2ATDP1ALOX15
SCHEMBL5514714 0.84 TBXAS1 (0.51) LMNAKMT2ATDP1ALOX15
SCHEMBL9845261 0.84 TBXAS1 (0.51) LMNAKMT2ATDP1ALOX15
Water SCHEMBL9845268 0.82 TBXAS1 (0.50) LMNAKMT2ATDP1ALOX15
SCHEMBL7100687 0.82 DAO (0.43) THRBFDPSTLR8TLR7DAO
SCHEMBL3489062 0.79 TBXAS1 (0.42) LMNATHRBFDPSPOLBKMT2A

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
WO-2005007107-A2 HISTAMINE AND CCK2/GASTRIN RECEPTOR BLOCKADE IN THE TREATMENT OF ACID-PEPTIC DISEASE AND CANCER UNIVERSITY OF MASSACHUSETTS (US) 2005-01-27 WO disclosed
EP-1294367-A2 ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT The Procter & Gamble Company (US) 2003-03-26 EP disclosed
WO-2002002096-A2 ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT THE PROCTER & GAMBLE COMPANY (US) 2002-01-10 WO disclosed