SCHEMBL3262320

SCHEMBL3262320

CCC(C(=O)O)N(CC1CCCCC1)C(=O)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
GABRA1 P14867 8/20 0.43
GABRG2 P18507 8/20 0.43
GABRB3 P28472 8/20 0.43
GABRA3 P34903 8/20 0.43
GABRA2 P47869 8/20 0.43
GABRB2 P47870 8/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3118297 0.87 MC4R (0.48) RAB9ANPC1GABRA1GABRG2GABRB3
SCHEMBL3118314 0.87 MC4R (0.48) RAB9ANPC1GABRA1GABRG2GABRB3
SCHEMBL3124488 0.86 MC4R (0.47) RAB9ANPC1GABRA1GABRG2GABRB3
SCHEMBL3119512 0.76 RAB9A (0.53) RAB9ANPC1GABRA1GABRG2GABRB3
SCHEMBL3115322 0.76 MC4R (0.52) RAB9ANPC1GABRA1GABRG2GABRB3
SCHEMBL3262813 0.74 MAPT (0.49) NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3262807 0.74 MAPT (0.49) NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3122404 0.73 MAPT (0.55) NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3119575 0.73 MAPT (0.55) NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3122387 0.73 MAPT (0.55) NPC1MEN1KMT2ASMN1; SMN2

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