SCHEMBL2828876

SCHEMBL2828876

O=C(c1ccc2c(c1)C1(OCCCO1)C(=O)N2Cc1ccccc1)c1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.44
ANPEP P15144 5/20 0.43
HTT P42858 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42

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
SCHEMBL13196440 0.89 ALDH1A1 (0.61) TSHRALDH1A1ANPEPHTTHDAC1
SCHEMBL13196424 0.87 ALDH1A1 (0.44) LMNAALDH1A1ANPEPHDAC1HDAC2
SCHEMBL2782119 0.84 ANPEP (0.37) TSHRANPEPHDAC1HDAC2
SCHEMBL2779726 0.80 LMNA (0.48) LMNATSHRALDH1A1ANPEPHTT
SCHEMBL13196425 0.78 AR (0.34) LMNAALDH1A1ANPEP
SCHEMBL13196421 0.76 ANPEP (0.47) LMNATSHRALDH1A1ANPEPHDAC1
SCHEMBL13196392 0.75 GAA (0.50) ALDH1A1
SCHEMBL13196389 0.72 CNR2 (0.56) LMNATSHRALDH1A1ANPEPHDAC1
SCHEMBL3467419 0.70 ANPEP (0.53) TSHRANPEPHDAC1HDAC2HDAC3
SCHEMBL2781625 0.69 ALDH1A1 (0.41) LMNATSHRALDH1A1ANPEPHTT

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-2010090680-A1 SUBSTITUTED OXINDOLE CB2 AGONISTS WYETH LLC (US) 2010-08-12 WO disclosed