SCHEMBL4025296

SCHEMBL4025296

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCSCC2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.35
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM2B Q8NHM5 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MC4R P32245 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
SLC2A1 P11166 1/20 0.32
SLC2A4 P14672 1/20 0.32

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
SCHEMBL4021646 0.89 MC4R (0.36) MGLLNPC1RAB9AKDM2BMEN1
SCHEMBL4022812 0.88 HTR6 (0.35) MGLLKDM2B
SCHEMBL4018836 0.88 GRIN1 (0.38) MGLLKDM2BMEN1KMT2AGRIN1
SCHEMBL4752869 0.87 MEN1 (0.40) MGLLMEN1KMT2ASLC2A1SLC2A4
SCHEMBL4751351 0.87 MEN1 (0.40) MGLLMEN1KMT2ASLC2A1SLC2A4
SCHEMBL4749242 0.86 OPRM1 (0.35) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL4749224 0.86 OPRM1 (0.35) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL4749392 0.85 MGLL (0.36) MGLLKDM2BMEN1KMT2AGRIN1
SCHEMBL4022170 0.85 NPSR1 (0.42) MGLLRAB9AKDM2BMEN1KMT2A
SCHEMBL4021116 0.84 SLC6A2 (0.35) MGLLNPC1RAB9AKDM2BMEN1

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 3 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 disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed