SCHEMBL7469804

SCHEMBL7469804

CC(C)(C)C(N)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
HTT P42858 1/20 0.49
GAA P10253 1/20 0.49
DPP4 P27487 1/20 0.47
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46

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
SCHEMBL3325041 1.00 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL522558 0.86 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL522557 0.86 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16465286 0.85 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL20612426 0.85 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16466450 0.85 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL8251750 0.82 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL6655371 0.82 TMEM97 (0.50) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL3970912 0.82 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL4814264 0.82 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19

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
EP-1202968-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-05-08 EP disclosed
WO-2001010834-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO disclosed