SCHEMBL3119504

SCHEMBL3119504

CC(C)(C)OC(=O)NCCCCN(CC1CCCCC1)C(=O)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MC4R P32245 3/20 0.42
MC5R P33032 3/20 0.42
MC3R P41968 3/20 0.42
POLB P06746 1/20 0.41
BCHE P06276 2/20 0.41
ALOX5 P09917 2/20 0.41
CAMK2D Q13557 1/20 0.41
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA4 P48169 2/20 0.38

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
SCHEMBL7937764 0.88 RAB9A (0.43) RAB9ANPC1MC4RMC5RMC3R
SCHEMBL3127386 0.83 GABRA1 (0.45) RAB9ANPC1ALOX5GABRA1GABRG2
SCHEMBL3115322 0.80 MC4R (0.52) RAB9ANPC1MC4RMC5RMC3R
SCHEMBL3119512 0.79 RAB9A (0.53) RAB9ANPC1MC4RMC5RMC3R
SCHEMBL3129331 0.79 MEN1 (0.42) POLBGABRA1GABRG2GABRB3GABRA3
SCHEMBL30644739 0.71 HDAC1 (0.54) NPC1BCHEALOX5CAMK2DMEN1
SCHEMBL3121013 0.71 ALDH1A1 (0.40) BCHEACHEKMT2A
SCHEMBL3119104 0.70 MAPT (0.55) NPC1BCHEACHEMEN1KMT2A
SCHEMBL3131170 0.70 GABRA1 (0.43) RAB9ANPC1GABRA1GABRG2GABRB3
SCHEMBL23518692 0.69 EPHX1 (0.51) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO claimed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO claimed
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed