SCHEMBL9844309

SCHEMBL9844309

COc1ccc(N2CC(CCN3CCCC(Cc4ccccc4)C3)OC2=O)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
GRM2 Q14416 4/20 0.44
SIGMAR1 Q99720 1/20 0.44
ABCB1 P08183 1/20 0.43
HTR2A P28223 2/20 0.42
CCR3 P51677 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9676125 0.91 SIGMAR1 (0.51) CARM1PRMT6GRM2SIGMAR1ABCB1
SCHEMBL9844448 0.90 ABCB1 (0.55) GRM2ABCB1KDM4EMEN1ALDH1A1
SCHEMBL9844422 0.89 GRM2 (0.55) CARM1PRMT6GRM2HTR2ACCR3
SCHEMBL9844290 0.88 GRM2 (0.53) CARM1PRMT6GRM2SIGMAR1HTR2A
SCHEMBL9844023 0.86 SLC6A2 (0.48) CARM1PRMT6GRM2SIGMAR1HTR2A
SCHEMBL9844478 0.86 GRM2 (0.60) CARM1PRMT6GRM2
SCHEMBL9844072 0.85 GRM2 (0.53) CARM1PRMT6GRM2MEN1KMT2A
SCHEMBL9844088 0.83 GRM2 (0.52) CARM1PRMT6GRM2SIGMAR1ALDH1A1
SCHEMBL9844281 0.83 GRM2 (0.52) CARM1PRMT6GRM2SIGMAR1HTR2A
SCHEMBL9678951 0.83 SIGMAR1 (0.54) GRM2SIGMAR1ABCB1MEN1KMT2A

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
EP-0443197-A2 Oxazolidinones MERCK PATENT GmbH (DE) 1991-08-28 EP disclosed