SCHEMBL14624166

SCHEMBL14624166

CC(C)C(=O)NC1CCc2c(c3cc(N)ccc3n2Cc2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.41
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TBXA2R P21731 3/20 0.36
PTGDR Q13258 3/20 0.36
ACHE P22303 2/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ABCB11 O95342 1/20 0.35
CYP2C9 P11712 1/20 0.35
DRD1 P21728 1/20 0.35
CCKAR P32238 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 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
SCHEMBL1876121 0.90 PTGDR2 (0.41) PTGDR2ALDH1A1L3MBTL1SIGMAR1MTNR1A
SCHEMBL1880816 0.89 PTGDR2 (0.41) PTGDR2ALDH1A1L3MBTL1SIGMAR1MTNR1A
SCHEMBL13478778 0.88 PTGDR2 (0.45) PTGDR2MTNR1AMTNR1BTBXA2RPTGDR
SCHEMBL14623578 0.88 PTGDR2 (0.45) PTGDR2MTNR1AMTNR1BTBXA2RPTGDR
SCHEMBL13478793 0.87 PTGDR2 (0.44) PTGDR2SIGMAR1MTNR1AMTNR1BTBXA2R
SCHEMBL13478781 0.85 MTNR1A (0.51) PTGDR2SIGMAR1MTNR1AMTNR1BTBXA2R
SCHEMBL14625188 0.85 PTGDR2 (0.44) PTGDR2SIGMAR1MTNR1AMTNR1BTBXA2R
SCHEMBL14623571 0.85 PTGDR2 (0.42) PTGDR2MTNR1AMTNR1BTBXA2RPTGDR
SCHEMBL14625190 0.84 PTGDR2 (0.42) PTGDR2MTNR1AMTNR1BTBXA2RPTGDR
SCHEMBL14624573 0.83 PTGDR2 (0.41) PTGDR2MTNR1AMTNR1BTBXA2RPTGDR

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-2007002181-A2 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) ELI LILLY AND COMPANY (US) 2007-01-04 WO disclosed