SCHEMBL4780110

SCHEMBL4780110

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(CCN(C(C)C)C(C)C)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.33
OPRD1 P41143 5/20 0.33
KDM2B Q8NHM5 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GHSR Q92847 3/20 0.33
KIF11 P52732 3/20 0.32
OPRK1 P41145 1/20 0.32
MGLL Q99685 2/20 0.32
ACHE P22303 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL4029041 0.90 KDM4E (0.38) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4772059 0.89 OPRM1 (0.35) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4027446 0.89 OPRM1 (0.35) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4027439 0.89 OPRM1 (0.35) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4779051 0.88 KDM4E (0.36) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL13720775 0.87 MEN1 (0.35) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4024540 0.87 MEN1 (0.35) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4024525 0.87 MEN1 (0.35) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4020633 0.87 MEN1 (0.35) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4028045 0.87 OPRM1 (0.35) OPRM1OPRD1KDM2BMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed