SCHEMBL3467667

SCHEMBL3467667

COc1ccc(C(=O)N2CCN(c3ccc(C(=O)NCCCc4ccccc4)cn3)CC2)c(Br)c1

nearest known ligand 0.89

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.58
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
NAMPT P43490 3/20 0.49
TP53 P04637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD4 P21917 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL2622409 0.94 SCD (0.57) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL30503203 0.94 SCD (0.57) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL3677104 0.91 SCD (0.56) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL13953001 0.90 SCD (0.57) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL3667896 0.89 SCD (0.63) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL3670603 0.88 SCD (0.68) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL3670752 0.86 SCD (0.67) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL3670254 0.84 SCD (0.62) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL3678636 0.83 SCD (0.48) SCDDRD4
SCHEMBL3676792 0.83 SCD (0.48) SCDLMNAHPGDDRD4MEN1

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-2013108026-A1 THIADIAZOLONE DERIVATIVES USEFUL IN THE TREATMENT OF DIABETES BALTIC BIO AB (SE) 2013-07-25 WO disclosed
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed