SCHEMBL6093119

SCHEMBL6093119

CN(C)C(CCNC(=O)c1c(OC(=O)C(=O)Oc2ccc3ccccc3c2C(=O)NCCC(c2ccc(Cl)cc2)N(C)C)ccc2ccccc12)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
NCEH1 Q6PIU2 7/20 0.42
LMNA P02545 4/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
UTS2R Q9UKP6 2/20 0.40
MMP3 P08254 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRD1 P41143 1/20 0.38
KAT2B Q92831 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5454566 0.78 UTS2R (0.61) UTS2R
SCHEMBL4728770 0.73 UTS2R (0.63) OPRM1UTS2R
SCHEMBL4731770 0.71 UTS2R (0.62) UTS2R
SCHEMBL4729682 0.71 UTS2R (0.64) UTS2R
SCHEMBL6092345 0.70 CNR1 (0.52) OPRM1UTS2ROPRD1MEN1KMT2A
SCHEMBL4731502 0.70 UTS2R (0.55) CYP1A2UTS2RSMN1; SMN2MEN1KMT2A
Oxalic Acid SCHEMBL9613796 0.69 KMT2A (0.51) UTS2RSLC6A2SLC6A4MEN1KMT2A
SCHEMBL4732737 0.69 UTS2R (0.61) UTS2R
SCHEMBL4729141 0.69 TMEM97 (0.55) OPRM1UTS2RSMN1; SMN2OPRD1KMT2A
SCHEMBL4730440 0.69 UTS2R (0.65) UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006135694-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2006-12-21 WO claimed
WO-2006135694-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2006-12-21 WO disclosed