SCHEMBL4774948

SCHEMBL4774948

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(CCC2CCN2)CC1C(=O)C1CN(CCC2CCN2)CC(C(=O)c2cccc(O)c2)C1c1cccc(F)c1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.35
MGLL Q99685 2/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 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
SCHEMBL4749094 0.95 KDM2B (0.34) KDM2BMGLLCHRNB4CHRNA3MEN1
SCHEMBL4752015 0.85 KIF11 (0.34) KDM2BMGLLMEN1KMT2AOPRM1
SCHEMBL4752024 0.85 KIF11 (0.34) KDM2BMGLLMEN1KMT2AOPRM1
SCHEMBL4774984 0.85 KDM2B (0.35) KDM2BMGLLOPRM1OPRD1OPRK1
SCHEMBL4751355 0.85 KDM2B (0.33) KDM2BMGLLMEN1KMT2AOPRM1
SCHEMBL4751290 0.85 ESRRG (0.34) KDM2BMEN1KMT2A
SCHEMBL4751349 0.85 KDM2B (0.33) KDM2BMGLLMEN1KMT2AOPRM1
SCHEMBL4019234 0.85 SCN9A (0.31) KDM2B
SCHEMBL4779051 0.85 KDM4E (0.36) KDM2BMGLLMEN1KMT2AOPRM1
SCHEMBL4751597 0.85 DRD3 (0.33) KDM2BMEN1KMT2A

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