SCHEMBL4749448

SCHEMBL4749448

Cc1c(F)cccc1C1C(C(=O)c2cccc(C(N)=O)c2)CN(CC(=O)N(C)C)CC1C(=O)c1cccc(C(N)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EED O75530 3/20 0.34
OPRM1 P35372 8/20 0.34
OPRD1 P41143 2/20 0.34
PARP10 Q53GL7 1/20 0.33
OPRK1 P41145 2/20 0.33
PARP1 P09874 3/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 1/20 0.33
ARRB1 P49407 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 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
SCHEMBL4022374 0.96 KDM4E (0.37) EEDOPRM1OPRD1PARP10OPRK1
SCHEMBL4022370 0.96 KDM4E (0.37) EEDOPRM1OPRD1PARP10OPRK1
SCHEMBL4022581 0.94 ALDH1A1 (0.35) EEDOPRM1PARP10MEN1KMT2A
SCHEMBL4022580 0.94 ALDH1A1 (0.35) EEDOPRM1PARP10MEN1KMT2A
SCHEMBL5635105 0.92 EED (0.31) EEDOPRM1OPRD1DRD2HTR2A
SCHEMBL4024477 0.89 ABL1 (0.37) EEDOPRM1OPRD1OPRK1MEN1
SCHEMBL4024473 0.89 ABL1 (0.37) EEDOPRM1OPRD1OPRK1MEN1
SCHEMBL4019982 0.89 KMT2A (0.39) EEDMEN1KMT2AKDM4EALDH1A1
SCHEMBL4019987 0.89 KMT2A (0.39) EEDMEN1KMT2AKDM4EALDH1A1
SCHEMBL4024035 0.89 ALDH1A1 (0.37) MEN1KMT2AALDH1A1

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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed