SCHEMBL7401097

SCHEMBL7401097

NN(C(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
CYP2C9 P11712 1/20 0.42
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
EPHX1 P07099 2/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.36
HSD11B1 P28845 1/20 0.36
ALOX15 P16050 1/20 0.35
LMNA P02545 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT6 P42226 1/20 0.35

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
SCHEMBL11153629 0.80 GRIN2D (0.44) THRBCYP2C9GRIN2DGRIN3BGRIN1
SCHEMBL3071615 0.76 GRIN2D (0.44) THRBCYP2C9GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL27925445 0.75 MEN1 (0.39) THRBCYP2C9GRIN2DGRIN3BGRIN1
SCHEMBL6687969 0.74 THRB (0.39) THRBCYP2C9GRIN2DGRIN3BGRIN1
SCHEMBL15975483 0.74 EPHX2 (0.53) EPHX1EPHX2ALDH1A1LMNAPOLB
SCHEMBL11076670 0.73 GRIN2D (0.52) THRBCYP2C9GRIN2DGRIN3BGRIN1
SCHEMBL22409653 0.70 ALDH1A1 (0.42) THRBCYP2C9GRIN2DGRIN3BGRIN1
SCHEMBL6687971 0.70 GRIN2D (0.42) THRBCYP2C9GRIN2DGRIN3BGRIN1
SCHEMBL8779303 0.68 THRB (0.38) THRBCYP2C9GRIN2DGRIN3BGRIN1
SCHEMBL28751556 0.67 GRIN2D (0.50) THRBCYP2C9GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999222-B Adamantyl oxadiazole-containing compound and preparation method and application thereof 贵州大学 2023-06-27 CN disclosed
CN-113999222-A Adamantyl oxadiazole-containing compounds and preparation method and application thereof 贵州大学 2022-02-01 CN disclosed
EP-0517913-A1 INHIBITIONS OF ENDOTHELIN FORMATION FARMITALIA CARLO ERBA S.r.l. (IT) 1992-12-16 EP disclosed
WO-1992012170-A1 INHIBITIONS OF ENDOTHELIN FORMATION FARMITALIA CARLO ERBA S.R.L. (IT) 1992-07-23 WO disclosed
EP-0134986-B1 BIOLOGICALLY ACTIVE HEPTAPEPTIDES, AGENTS THEREOF AND THEIR USE FARMITALIA CARLO ERBA S.r.l. (IT) 1989-12-27 EP disclosed
US-4567162-A ANIMAL GROWTH PROMOTERS FARMITALIA CARLO ERBA (IT) 1986-01-28 US disclosed
EP-0134986-A2 Biologically active heptapeptides, agents thereof and their use FARMITALIA CARLO ERBA S.r.l. (IT) 1985-03-27 EP disclosed
US-4491541-A Peptides FARMITALIA CARLO ERBA 1985-01-01 US disclosed
US-4474765-A Biologically active peptides FARMITALIA CARLO ERBA S.P.A. (IT) 1984-10-02 US disclosed
US-4350627-A Biologically active peptides FARMITALIA CARLO ERBA S.P.A. (IT) 1982-09-21 US disclosed