SCHEMBL4018647

SCHEMBL4018647

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.33
MGLL Q99685 3/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A4 P14672 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
MC4R P32245 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
SCHEMBL4022496 0.91 KDM2B (0.33) KDM2BMGLLMAPK1MEN1KMT2A
SCHEMBL13721304 0.90 KDM2B (0.34) KDM2BMGLLMEN1KMT2AKDM4E
SCHEMBL4022530 0.90 KDM2B (0.34) KDM2BMGLLMEN1KMT2AKDM4E
SCHEMBL4023878 0.90 KDM2B (0.34) KDM2BMGLLMEN1KMT2AKDM4E
SCHEMBL4020603 0.90 KDM2B (0.33) KDM2BMGLLMEN1KMT2AKDM4E
SCHEMBL4020419 0.88 KDM2B (0.32) KDM2BMGLLMEN1KMT2A
SCHEMBL4023604 0.88 KDM2B (0.42) KDM2BMEN1KMT2AALDH1A1
SCHEMBL4021004 0.88 NTRK1 (0.33) KDM2BMGLLMEN1KMT2AKDM4E
SCHEMBL4020367 0.87 KDM2B (0.31) KDM2B
SCHEMBL4749185 0.86 KDM2B (0.31) KDM2BMGLL

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 5 patents. 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
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