SCHEMBL3941121

SCHEMBL3941121

CCOC(=O)CN(C(=O)C(=O)c1c[nH]c2ccccc12)C(C(=O)NC1CCCCC1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 3/20 0.48
GABRA1 P14867 4/20 0.47
GABRG2 P18507 4/20 0.47
GABRB3 P28472 4/20 0.47
GABRA3 P34903 4/20 0.47
GABRA2 P47869 4/20 0.47
GABRB2 P47870 4/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HTR4 Q13639 1/20 0.41
PKM P14618 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL3942490 0.88 RAB9A (0.58) RAB9ANPC1GABRA1GABRG2GABRB3
SCHEMBL3944015 0.88 RAB9A (0.58) RAB9ANPC1GABRA1GABRG2GABRB3
SCHEMBL4197663 0.88 RAB9A (0.58) RAB9ANPC1GABRA1GABRG2GABRB3
SCHEMBL3941454 0.88 RAB9A (0.58) RAB9ANPC1GABRA1GABRG2GABRB3
SCHEMBL3943978 0.88 RAB9A (0.58) RAB9ANPC1GABRA1GABRG2GABRB3
SCHEMBL3946196 0.87 RAB9A (0.57) RAB9ANPC1GABRA1GABRG2GABRB3
SCHEMBL4029465 0.83 RAB9A (0.51) RAB9ANPC1TP53GABRA1GABRG2
SCHEMBL3941064 0.83 RAB9A (0.57) RAB9ANPC1GABRA1GABRG2GABRB3
SCHEMBL4198540 0.83 RAB9A (0.57) RAB9ANPC1GABRA1GABRG2GABRB3
SCHEMBL4033163 0.83 RAB9A (0.57) RAB9ANPC1GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO claimed
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed