SCHEMBL29953633

SCHEMBL29953633

OB(O)c1ccc(COC2CCC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 11/20 0.38
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR1A P08908 1/20 0.36
SCN9A Q15858 3/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
CTSK P43235 1/20 0.33
IDO1 P14902 1/20 0.33
AGXT P21549 1/20 0.33

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
SCHEMBL29957139 0.96 SCN9A (0.40) NAAAKDM4EL3MBTL1HTR1ASCN9A
SCHEMBL29955252 0.87 HTR1A (0.36) NAAAHTR1ASCN9ACARM1PRMT6
SCHEMBL29956300 0.78 QRFPR (0.46) IDO1
SCHEMBL2101438 0.77 NAAA (0.59) NAAAKDM4EL3MBTL1HTR1ACARM1
SCHEMBL29953993 0.77 HTR1A (0.44) NAAAKDM4EL3MBTL1HTR1ASCN9A
SCHEMBL26108979 0.77 KDM4E (0.36) KDM4EL3MBTL1SCN9ACARM1PRMT6
SCHEMBL29954322 0.76 PARP10 (0.37)
SCHEMBL2102117 0.75 LMNA (0.42) NAAASCN9A
SCHEMBL22283732 0.75 IDO1 (0.56) NAAAHTR1ACARM1PRMT6CTSK
SCHEMBL7020409 0.74 ENPP2 (0.38) IDO1AGXT

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed