SCHEMBL7992668

SCHEMBL7992668

COc1ccc2c(c1)NCC2C(=O)C(=O)N(CC(=O)N(C)CCN1CCCC1)CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.45
HRH3 Q9Y5N1 4/20 0.40
RAB9A P51151 2/20 0.34
TSHR P16473 1/20 0.34
MMP3 P08254 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL7986761 0.89 HTT (0.36)
SCHEMBL7937873 0.88 HTR2A (0.41) HRH3HTR2AHTR2CHTR7
SCHEMBL7938360 0.87 POLB (0.36) RAB9A
SCHEMBL7969063 0.86 CYP2D6 (0.42) TSHR
SCHEMBL7948263 0.84 HPGD (0.36) TSHRMMP3
SCHEMBL7947285 0.84 HPGD (0.36) TSHRMMP3
SCHEMBL7945107 0.84 POLB (0.36) RAB9A
SCHEMBL7946077 0.83 POLB (0.35) RAB9AMMP3
SCHEMBL7969073 0.83 MTNR1B (0.35) TSHR
SCHEMBL7947164 0.82 PLA2G2A (0.37) RAB9A

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