SCHEMBL6237415

SCHEMBL6237415

NC(=O)C(c1ccccc1)[C@@H]1C(=O)NCCS[C@H]1c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.35
MTNR1A P48039 2/20 0.35
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
PKM P14618 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RCE1 Q9Y256 1/20 0.32
EPHX1 P07099 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM1A O60341 1/20 0.32
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL5644665 0.75 MTNR1A (0.43) MAP2K1MTNR1AIDO1ALDH1A1PKM
Bromide SCHEMBL6207122 0.74 MTNR1A (0.43) MAP2K1MTNR1AIDO1ALDH1A1PKM
SCHEMBL6237420 0.70 MAP2K1 (0.42) MAP2K1MTNR1AIDO1ALDH1A1PKM
SCHEMBL3343411 0.68 PSEN1 (0.41) MAP2K1MEN1KMT2A
SCHEMBL2656685 0.66 MTNR1A (0.42) MTNR1AIDO1PKMMEN1KMT2A
SCHEMBL8796437 0.60 KDM1A (0.43) MTNR1AIDO1ALDH1A1TSHRMAPT
SCHEMBL9209417 0.59 EPHX1 (0.40) MTNR1AIDO1ALDH1A1PKMMEN1
SCHEMBL6528518 0.59 CACNA2D1 (0.48) MEN1KMT2AMAPTSLC6A4
SCHEMBL6239173 0.59 MAP2K1 (0.43) MAP2K1ALDH1A1KDM1AHTTHSD17B10
SCHEMBL27524328 0.58 IDO1 (0.54) MTNR1AIDO1ALDH1A1PKMMAPT

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
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO disclosed