SCHEMBL4787131

SCHEMBL4787131

COc1ccc(CN(C)c2ccc3c(c2)[C@H](Nc2cccc(Cl)c2)CC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.51
KDM1A O60341 3/20 0.42
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
ACHE P22303 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
BCL2A1 Q16548 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.36
C5AR1 P21730 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 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
SCHEMBL4786817 0.89 FADS1 (0.59) FADS1KDM1AMAOAMAOBACHE
SCHEMBL4797343 0.82 FADS1 (0.66) FADS1KDM1AMAOAMAOBMEN1
SCHEMBL4787506 0.79 FADS1 (0.56) FADS1KDM1AMAOAMAOBACHE
SCHEMBL4785195 0.78 FADS1 (0.57) FADS1KDM1AMAOAMAOBACHE
SCHEMBL4787090 0.77 FADS1 (0.50) FADS1ACHE
SCHEMBL4785224 0.74 FADS1 (0.78) FADS1KDM1AMAOAMAOBNPC1
SCHEMBL4805296 0.74 FADS1 (0.78) FADS1KDM1AMAOAMAOBNPC1
SCHEMBL4785890 0.72 OPRM1 (0.38) BCL2A1MEN1KMT2ATP53OPRM1
SCHEMBL4785262 0.72 FADS1 (0.71) FADS1KDM1AMAOAMAOBMEN1
SCHEMBL4740962 0.70 FADS1 (0.71) FADS1KDM1AMAOAMAOBNPC1

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
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed