SCHEMBL6017344

SCHEMBL6017344

CCCCCCCCN1C(=O)NC2(CCCCC(C)(C)NC(C)(C)C2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.47
CNR1 P21554 3/20 0.44
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
MGLL Q99685 2/20 0.39
FAAH O00519 2/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.38
PLA2G7 Q13093 1/20 0.38

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
SCHEMBL5605674 0.99 TACR1 (0.46) TACR1CNR1LMNAPOLBPTGS1
SCHEMBL5584090 0.89 CNR1 (0.50) TACR1CNR1PTGS1PTGS2MGLL
SCHEMBL39409 0.89 CNR1 (0.50) TACR1CNR1PTGS1PTGS2MGLL
SCHEMBL2893463 0.89 CNR1 (0.50) TACR1CNR1PTGS1PTGS2MGLL
SCHEMBL5584007 0.89 CNR1 (0.50) TACR1CNR1PTGS1PTGS2MGLL
SCHEMBL11353453 0.85 CNR1 (0.43) TACR1CNR1LMNAPTGS1PTGS2
SCHEMBL11153550 0.83 CNR1 (0.48) TACR1CNR1LMNAMGLLFAAH
SCHEMBL11681007 0.83 CNR1 (0.45) TACR1CNR1PTGS1PTGS2MGLL
SCHEMBL6017697 0.79 TACR1 (0.45) TACR1CNR1LMNAKMT2AALDH1A1
SCHEMBL6030261 0.78 CNR1 (0.50) TACR1CNR1PTGS1PTGS2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680458-A2 ROMP WITH FLUORINATED GROUPS Ciba SC Holding AG (CH) 2006-07-19 EP disclosed
EP-1539873-A2 STABILLIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2005-06-15 EP disclosed
WO-2005028402-A2 ROMP WITH FLUORINATED GROUPS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-03-31 WO disclosed
WO-2004024810-A2 STABILLIZATION OF ORGANIC MATERIALS CIBA, SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-25 WO disclosed