SCHEMBL4026401

SCHEMBL4026401

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C[C@@H](CO)C2CCCCN2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.31
SLC6A3 Q01959 3/20 0.31
SLC6A4 P31645 2/20 0.31
MGLL Q99685 1/20 0.31
KDM2B Q8NHM5 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
SCHEMBL4018647 0.82 KDM2B (0.33) MGLLKDM2B
SCHEMBL4020603 0.81 KDM2B (0.33) MGLLKDM2B
SCHEMBL4020293 0.81 GNRHR (0.37) MGLLKDM2B
SCHEMBL4022834 0.81 KDM2B (0.37) MGLLKDM2B
SCHEMBL4022530 0.80 KDM2B (0.34) MGLLKDM2B
SCHEMBL13721304 0.80 KDM2B (0.34) MGLLKDM2B
SCHEMBL4023878 0.80 KDM2B (0.34) MGLLKDM2B
SCHEMBL4749185 0.80 KDM2B (0.31) MGLLKDM2B
SCHEMBL4020419 0.80 KDM2B (0.32) MGLLKDM2B
SCHEMBL4023514 0.79 CFD (0.36) MGLL

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
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed