SCHEMBL7937764

SCHEMBL7937764

CC(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 1/20 0.39
ALOX5 P09917 2/20 0.39
TACR3 P29371 1/20 0.39
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
SCHEMBL3119504 0.88 RAB9A (0.43) RAB9ANPC1MC4RMC5RMC3R
SCHEMBL3115322 0.80 MC4R (0.52) RAB9ANPC1MC4RMC5RMC3R
SCHEMBL3119512 0.79 RAB9A (0.53) RAB9ANPC1MC4RMC5RMC3R
SCHEMBL3127386 0.72 GABRA1 (0.45) RAB9ANPC1ALOX5GABRA1GABRG2
SCHEMBL3129331 0.70 MEN1 (0.42) POLBGABRA1GABRG2GABRB3GABRA3
SCHEMBL3262320 0.69 RAB9A (0.47) RAB9ANPC1POLBGABRA1GABRG2
SCHEMBL3949673 0.68 RAB9A (0.45) RAB9ANPC1MC4RMC5RMC3R
SCHEMBL4556850 0.67 MAPT (0.56) NPC1BCHE
SCHEMBL3118297 0.67 MC4R (0.48) RAB9ANPC1MC4RMC5RMC3R
SCHEMBL3118314 0.67 MC4R (0.48) RAB9ANPC1MC4RMC5RMC3R

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-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed