SCHEMBL3265904

SCHEMBL3265904

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 2/20 0.49
PBRM1 Q86U86 1/20 0.49
GABRA1 P14867 5/20 0.48
GABRG2 P18507 5/20 0.48
GABRB3 P28472 5/20 0.48
GABRA3 P34903 5/20 0.48
GABRA2 P47869 5/20 0.48
GABRB2 P47870 5/20 0.48
GPR84 Q9NQS5 1/20 0.48
ALOX5 P09917 1/20 0.47
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
HTR3A P46098 2/20 0.47

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
SCHEMBL29414387 0.79 PBRM1 (0.62) RAB9ANPC1POLBALDH1A1KMT2A
SCHEMBL4215371 0.79 PBRM1 (0.62) RAB9ANPC1POLBALDH1A1KMT2A
SCHEMBL3942488 0.76 RAB9A (0.49) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL26259075 0.75 ALDH1A1 (0.57) RAB9ANPC1ALDH1A1KMT2APBRM1
SCHEMBL2079279 0.74 HTR3E (0.76) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL4954977 0.73 GPR84 (0.77) RAB9ANPC1POLBALDH1A1LMNA
SCHEMBL3262320 0.72 RAB9A (0.47) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL3119512 0.72 RAB9A (0.53) RAB9ANPC1POLBSMN1; SMN2KMT2A
SCHEMBL3118257 0.72 ADAM17 (0.54) RAB9ANPC1ALDH1A1KMT2APBRM1
SCHEMBL2078783 0.72 HTR3E (0.78) RAB9ANPC1POLBSMN1; SMN2ALDH1A1

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