SCHEMBL7719034

SCHEMBL7719034

CC(C)(C)CC(c1ccccc1)(c1ccccc1)S(=O)(=O)Oc1ccc2c(c1)C(N1CC[C@@H](NC(=O)OC(C)(C)C)C1=O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.35
SCN9A Q15858 5/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNA3 P22001 1/20 0.34
NPY1R P25929 1/20 0.34
CCR2 P41597 1/20 0.33

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
SCHEMBL7721427 0.79 MTNR1B (0.36) MTNR1BSCN9AKMT2ANPY1R
SCHEMBL7718518 0.79 MTNR1B (0.36) MTNR1BSCN9AKMT2ANPY1R
SCHEMBL7709306 0.79 MTNR1B (0.36) MTNR1BSCN9AKMT2ANPY1R
SCHEMBL7717555 0.75 SCN9A (0.38) MTNR1BSCN9ANPY1R
SCHEMBL7719303 0.75 SCN9A (0.38) MTNR1BSCN9ANPY1R
SCHEMBL3532957 0.68 TAS1R3 (0.44) MEN1ALDH1A1LMNAKMT2A
SCHEMBL2629484 0.68 TAS1R3 (0.44) MEN1ALDH1A1LMNAKMT2A
SCHEMBL31730795 0.67 NR1H2 (0.40) SCN9ANPY1R
SCHEMBL31730505 0.67 FPR2 (0.46) SCN9ANPY1R
SCHEMBL13260050 0.67 XIAP (0.59) MEN1ALDH1A1LMNAKMT2A

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
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed