SCHEMBL4027285

SCHEMBL4027285

CN(CCN1C[C@H](C(=O)c2cccc(O)c2)C(c2cccc(Cl)c2F)[C@@H](C(=O)c2cccc(O)c2)C1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDM1A O60341 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM2B Q8NHM5 4/20 0.32
MGLL Q99685 2/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 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
SCHEMBL4020283 0.90 KDM1A (0.34) KCNH2MCHR1KDM1AKDM2BMGLL
SCHEMBL4020432 0.88 KCNH2 (0.33) MEN1KMT2AMAPK1KCNH2MCHR1
SCHEMBL13721487 0.86 OPRM1 (0.35) MEN1KMT2AMAPK1KCNH2MCHR1
SCHEMBL4028041 0.86 OPRM1 (0.35) MEN1KMT2AMAPK1KCNH2MCHR1
SCHEMBL4028045 0.86 OPRM1 (0.35) MEN1KMT2AMAPK1KCNH2MCHR1
SCHEMBL4022053 0.85 MGLL (0.36) MEN1KMT2AMAPK1KDM2BMGLL
SCHEMBL4751548 0.84 OPRM1 (0.34) MEN1KMT2AMAPK1KCNH2MCHR1
SCHEMBL4772539 0.84 OPRM1 (0.34) MEN1KMT2AMAPK1KCNH2MCHR1
SCHEMBL4751549 0.84 OPRM1 (0.34) MEN1KMT2AMAPK1KCNH2MCHR1
SCHEMBL4022438 0.82 KDM1A (0.33) MEN1KMT2AMAPK1KCNH2MCHR1

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