SCHEMBL4024826

SCHEMBL4024826

CNCCN1C[C@H](C(=O)c2cccc(O)c2)[C@H](c2cccc(F)c2C)[C@@H](C(=O)c2c(F)cccc2Cl)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.36
SIGMAR1 Q99720 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 2/20 0.34
MGLL Q99685 1/20 0.33
CARM1 Q86X55 3/20 0.32
PRMT6 Q96LA8 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.32
PKM P14618 1/20 0.32
TP53 P04637 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
SCHEMBL4029451 0.92 CARM1 (0.37) KMT2AMEN1MGLLCARM1PRMT6
SCHEMBL4022073 0.91 MEN1 (0.36) GAAKMT2AMEN1POLBMAPK1
SCHEMBL4019347 0.88 MEN1 (0.33) KMT2AMEN1MAPK1MGLLCARM1
SCHEMBL4024736 0.87 DRD3 (0.34) KMT2AMEN1CARM1PRMT6
SCHEMBL4021552 0.87 DRD3 (0.36) KMT2AMEN1
SCHEMBL4025226 0.85 OPRM1 (0.35) KMT2AMEN1TP53
SCHEMBL4025235 0.85 OPRM1 (0.35) KMT2AMEN1TP53
SCHEMBL4029054 0.85 KDM2B (0.33) CARM1PRMT6
SCHEMBL4022484 0.85 CARM1 (0.32) KMT2AMEN1CARM1PRMT6
SCHEMBL4019472 0.84 MEN1 (0.33) KMT2AMEN1MAPK1CARM1PRMT6

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