SCHEMBL30486010

SCHEMBL30486010

N#Cc1ccc(N2CCC(F)(F)C2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 3/20 0.43
SCN10A Q9Y5Y9 1/20 0.42
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
RXRA P19793 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
LCAT P04180 1/20 0.37
QPCT Q16769 1/20 0.37
LRRK2 Q5S007 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
AOC3 Q16853 1/20 0.36
MAP3K12 Q12852 2/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL29039125 1.00 EP300 (0.43) EP300SCN10AKCNJ1KCNH2CHRNB2
SCHEMBL31587198 0.77 PIK3CA (0.42) EP300CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27909230 0.76 CHRNB2 (0.44) CHRNB2CHRNA4LCATAOC3
SCHEMBL151047 0.76 MAPT (0.46) CHRNB2CHRNA4LCATAOC3
SCHEMBL29039129 0.75 EP300 (0.41) EP300CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL151160 0.74 MAPT (0.49) KCNH2CHRNB2CHRNA4GRIN2BLCAT
SCHEMBL148390 0.74 MAPT (0.49) KCNH2CHRNB2CHRNA4GRIN2BLCAT
SCHEMBL30486004 0.73 RXRA (0.42) EP300CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2342500 0.73 AOC3 (0.39) KCNJ1KCNH2CHRNB2CHRNA4OPRM1
SCHEMBL22914757 0.72 TSHR (0.50) KCNJ1KCNH2CHRNB2CHRNA4OPRM1

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
CN-116462676-A Multi-condensed ring PRMT5 inhibitor and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-07-21 CN disclosed