SCHEMBL6229153

SCHEMBL6229153

COC(=O)NC12CC3CC(CC(N)(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
TSHR P16473 1/20 0.44
PBK Q96KB5 2/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
GLA P06280 1/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL30685155 0.84 MEN1 (0.54) DPP8DPP9TSHRPBKPOLB
SCHEMBL15191498 0.84 MEN1 (0.54) DPP8DPP9TSHRPBKPOLB
SCHEMBL6058450 0.83 TSHR (0.46) DPP8DPP9TSHRPBKPOLB
SCHEMBL5608094 0.81 ALDH1A1 (0.47) DPP8DPP9TSHRPKMEPHX1
SCHEMBL6252048 0.81 TSHR (0.45) DPP8DPP9TSHREPHX1EPHX2
SCHEMBL529068 0.81 POLB (0.50) DPP8DPP9TSHRPBKPOLB
SCHEMBL14341840 0.80 EPHX2 (0.61) EPHX1EPHX2GLAMEN1KMT2A
SCHEMBL6225929 0.79 GLA (0.46) TSHRPOLBEPHX1EPHX2GLA
SCHEMBL6228072 0.78 GRIN1 (0.51) TSHREPHX2GRIN2DGRIN3BGRIN1
SCHEMBL6226754 0.78 TSHR (0.40) TSHREPHX1EPHX2GLAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1574494-A1 Adamantane derivative Daicel Chemical Industries, Ltd. (JP) 2005-09-14 EP disclosed
EP-1574495-A1 Adamantane derivatives Daicel Chemical Industries, Ltd. (JP) 2005-09-14 EP disclosed
US-6468487-B1 SUCH AS N-HYDROXYPHTHALIMIDE; DIRECTLY AND EFFICIENTLY REACTING ADAMANTANE WITH NITROGEN OXIDE OR WITH CARBON MONOXIDE AND OXYGEN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-22 US disclosed
EP-0897747-A1 NITRATION OR CARBOXYLATION CATALYSTS Daicel Chemical Industries, Ltd. (JP) 1999-02-24 EP disclosed