SCHEMBL5806958

SCHEMBL5806958

NC(=O)c1cccc(CC(=O)N2CCc3ccccc3C2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.51
PARP1 P09874 1/20 0.51
DPP8 Q6V1X1 1/20 0.50
DPP7 Q9UHL4 1/20 0.50
ROCK2 O75116 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NOTUM Q6P988 1/20 0.47
TMPRSS2 O15393 1/20 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
SCHEMBL5806959 0.86 RAB9A (0.54) RAB9ANPC1POLBPARP1DPP8
SCHEMBL5811080 0.79 TSHR (0.48) POLBKDM4EHTTKMT2ATSHR
SCHEMBL10577926 0.79 KDM4E (0.67) RAB9ANPC1PARP1DPP8DPP7
SCHEMBL5807809 0.79 HSD11B1 (0.47) NPC1POLBALDH1A1KDM4EHPGD
SCHEMBL3923742 0.76 MAPT (0.48) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL29569463 0.74 NPC1 (0.78) RAB9ANPC1DPP8DPP7ROCK2
SCHEMBL5672650 0.74 DPP8 (0.61) RAB9ANPC1POLBPARP1DPP8
SCHEMBL2334856 0.73 HDAC3 (0.65) RAB9ANPC1POLBPARP1DPP8
SCHEMBL6228768 0.72 HDAC3 (0.68) RAB9ANPC1POLBPARP1DPP8
SCHEMBL6790178 0.72 GRIN2D (0.65)

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-2006050908-A1 INHIBITORS OF 11ΒΕΤΑ-HYDROXY STEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) EVOTEC AG (DE) 2006-05-18 WO disclosed