SCHEMBL4751750

SCHEMBL4751750

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(O)c2)CN([C@@H]2CC3CCN2CC3)C[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 18/20 0.39
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4751751 1.00 MGLL (0.39) MGLLALDH1A1
SCHEMBL4814727 0.88 MGLL (0.33) MGLL
SCHEMBL4025189 0.83 MGLL (0.38) MGLLALDH1A1
SCHEMBL4025192 0.83 MGLL (0.38) MGLLALDH1A1
SCHEMBL4023658 0.83 MGLL (0.38) MGLLALDH1A1
SCHEMBL4023656 0.83 MGLL (0.38) MGLLALDH1A1
SCHEMBL4018836 0.83 GRIN1 (0.38) MGLL
SCHEMBL4021748 0.83 MGLL (0.39) MGLLALDH1A1
SCHEMBL4021759 0.83 MGLL (0.39) MGLLALDH1A1
SCHEMBL4752021 0.82 ALDH1A1 (0.38) MGLLALDH1A1

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 disclosed