SCHEMBL7979470

SCHEMBL7979470

COCCNC(=O)CN(CC1CCCCC1)C(=O)C(=O)C1CNc2cc(F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TACR1 P25103 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
APLNR P35414 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
ACKR3 P25106 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
NAMPT P43490 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
SCHEMBL7951892 0.90 POLB (0.39) MAPK1ALDH1A1NPSR1APLNRNPC1
SCHEMBL7979149 0.84 NPC1 (0.39) ALDH1A1NPSR1NPC1RAB9A
SCHEMBL7980536 0.83 PTGDR2 (0.35) NPC1RAB9A
SCHEMBL7982833 0.82 PKM (0.33) NPC1RAB9A
SCHEMBL7969219 0.82 KMT2A (0.34)
SCHEMBL7945520 0.82 NPC1 (0.39) ALDH1A1NPSR1NPC1RAB9A
SCHEMBL7969240 0.81 ALDH1A1 (0.36) ALDH1A1NPSR1NPC1RAB9A
SCHEMBL7944071 0.80 HTT (0.40) ALDH1A1NPC1RAB9A
SCHEMBL7982206 0.79 POLB (0.36) ALDH1A1NPC1RAB9A
SCHEMBL7969063 0.79 CYP2D6 (0.42) ALDH1A1NPSR1

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