SCHEMBL29563196

SCHEMBL29563196

Brc1cc(N2CCC(OCc3ccccc3)CC2)cc(Br)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 5/20 0.48
PRMT6 Q96LA8 5/20 0.48
PRMT8 Q9NR22 2/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SCN9A Q15858 3/20 0.43
PRMT3 O60678 1/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSK P43235 2/20 0.41
BCHE P06276 1/20 0.41
OPRM1 P35372 2/20 0.41

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
SCHEMBL31539602 0.82 CARM1 (0.53) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL29562612 0.79 ALOX5 (0.37) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL16447597 0.76 CARM1 (0.49) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL28253964 0.75 CARM1 (0.48) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL16447595 0.74 HRH3 (0.51) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL24567238 0.74 LIPG (0.46) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL6469380 0.73 OPRM1 (0.59) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL11210636 0.72 CARM1 (0.57) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL5140977 0.72 CARM1 (0.66) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL27158553 0.72 NPC1 (0.59) CARM1PRMT6PRMT8TMEM97SIGMAR1

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-2022109580-A1 INHIBITION OF TYK2 DEPENDENT SIGNALING PATHWAYS JANSSEN PHARMACEUTICA NV (BE) 2022-05-27 WO disclosed