SCHEMBL7975471

SCHEMBL7975471

Cc1cc(CN(CC2CCCCC2)C(=O)C(=O)C2CNc3cc(F)ccc32)no1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
ACKR3 P25106 1/20 0.33
PKM P14618 2/20 0.33
GAA P10253 2/20 0.32
S1PR3 Q99500 1/20 0.32
CCR4 P51679 1/20 0.32
KLK7 P49862 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RAB9A P51151 1/20 0.31
CCR3 P51677 1/20 0.31
TSHR P16473 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
KCNH2 Q12809 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7980528 0.83 PKM (0.33) OXTRAVPR1APKM
SCHEMBL7985830 0.81 POLB (0.34) ALDH1A1OXTRAVPR1ALMNATDP1
SCHEMBL7980536 0.81 PTGDR2 (0.35) OXTRAVPR1APKMRAB9A
SCHEMBL7982833 0.80 PKM (0.33) OXTRAVPR1APKMRAB9A
SCHEMBL7969219 0.80 KMT2A (0.34) OXTRAVPR1APKMKLK7TDP1
SCHEMBL7979149 0.77 NPC1 (0.39) ALDH1A1NPSR1RAB9A
SCHEMBL7982224 0.77 RAB9A (0.34) ALDH1A1PKMNPSR1RAB9A
SCHEMBL7969240 0.75 ALDH1A1 (0.36) ALDH1A1LMNANPSR1RAB9A
SCHEMBL7979470 0.75 MAPK1 (0.36) ALDH1A1ACKR3NPSR1RAB9A
SCHEMBL7946315 0.74 MAPK14 (0.36) ALDH1A1OXTRAVPR1APKMDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed