SCHEMBL4023878

SCHEMBL4023878

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.34
MGLL Q99685 4/20 0.33
MC4R P32245 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KIF11 P52732 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SLC2A1 P11166 1/20 0.32
SLC2A4 P14672 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
NTRK1 P04629 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
SCHEMBL13721304 1.00 KDM2B (0.34) KDM2BMGLLMC4RCA1CA2
SCHEMBL4022530 1.00 KDM2B (0.34) KDM2BMGLLMC4RCA1CA2
SCHEMBL4018647 0.90 KDM2B (0.33) KDM2BMGLLMC4RMEN1KMT2A
SCHEMBL4025503 0.89 KIF11 (0.34) KDM2BMGLLMC4RMEN1KMT2A
SCHEMBL4022496 0.89 KDM2B (0.33) KDM2BMGLLMEN1KMT2AKDM4E
SCHEMBL4021004 0.89 NTRK1 (0.33) KDM2BMGLLMEN1KMT2AKDM4E
SCHEMBL4020603 0.87 KDM2B (0.33) KDM2BMGLLMEN1KMT2AKDM4E
SCHEMBL4018780 0.87 KDM2B (0.43) KDM2BMEN1KMT2AALDH1A1
SCHEMBL4018783 0.87 KDM2B (0.43) KDM2BMEN1KMT2AALDH1A1
SCHEMBL13721307 0.87 KDM2B (0.43) KDM2BMEN1KMT2AALDH1A1

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