SCHEMBL4751374

SCHEMBL4751374

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C(=O)N2CCC[C@H]2CN(C)C)C[C@@H]1c1cc[c]cc1O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.32
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL4749427 0.89 BCHE (0.36) BCHEOPRD1OPRK1
SCHEMBL4749447 0.89 BCHE (0.36) BCHEOPRD1OPRK1
SCHEMBL4749494 0.89 BCHE (0.36) BCHEOPRD1OPRK1
SCHEMBL4749500 0.84
SCHEMBL4751559 0.83 MEN1 (0.32)
SCHEMBL4814727 0.79 MGLL (0.33)
SCHEMBL4749213 0.77 ALDH1A1 (0.32)
SCHEMBL4749216 0.77 ALDH1A1 (0.32)
SCHEMBL4749507 0.76 MC4R (0.31)
SCHEMBL4749387 0.76 KDM2B (0.32)

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-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed