SCHEMBL4752760

SCHEMBL4752760

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(N(C=O)CCC2CCCN2)C[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
SSTR2 P30874 7/20 0.32
SSTR4 P31391 1/20 0.30
SSTR3 P32745 1/20 0.30
KCNH2 Q12809 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
SCHEMBL4022834 0.84 KDM2B (0.37) CHRNB4CHRNA3SSTR2SSTR4SSTR3
SCHEMBL4021396 0.84 BCHE (0.35)
SCHEMBL4751400 0.83 CFD (0.36) CHRNB4CHRNA3SSTR2
SCHEMBL4020627 0.83 KDR (0.33)
SCHEMBL4023514 0.81 CFD (0.36) CHRNB4CHRNA3
SCHEMBL4774948 0.77 KDM2B (0.35) CHRNB4CHRNA3
SCHEMBL4749094 0.76 KDM2B (0.34) CHRNB4CHRNA3
SCHEMBL4749472 0.76 MGLL (0.32) CHRNB4CHRNA3
SCHEMBL4018815 0.75 KDM2B (0.38) KCNH2
SCHEMBL4029041 0.75 KDM4E (0.38)

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