SCHEMBL30752856

SCHEMBL30752856

N#Cc1cc(F)c(C#CCN)cc1OC1CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.33
▸ KCNJ1 P48048 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ AR P10275 6/20 0.32
▸ TBK1 Q9UHD2 2/20 0.32
▸ IKBKE Q14164 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ TRPV4 Q9HBA0 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL31388140 0.82 PGR (0.36) ACACBKCNJ1KCNH2ARTRPV4
SCHEMBL31388102 0.78 TBK1 (0.38) KCNJ1KCNH2TBK1IKBKE
SCHEMBL25400457 0.74 BCL2A1 (0.45) ARCYP2D6SLC6A2SLC6A4NOS2
SCHEMBL30430517 0.74 BCL2A1 (0.45) ARCYP2D6SLC6A2SLC6A4NOS2
SCHEMBL31535180 0.74 KCNJ1 (0.34) KCNJ1KCNH2ARTBK1TRPV4
SCHEMBL31506681 0.72 AR (0.33) ACACBKCNJ1KCNH2ARTRPV4
SCHEMBL31506682 0.72 AR (0.33) ACACBKCNJ1KCNH2ARTRPV4
SCHEMBL31506657 0.71 AR (0.33) ACACBKCNJ1KCNH2ARTRPV4
SCHEMBL19175421 0.71 TRPV4 (0.37) ARTRPV4
SCHEMBL31432493 0.70 AR (0.40) ACACBARTBK1IKBKETRPV4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119585261-A PRMT5 inhibitor, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2025-03-07 — — CN disclosed
WO-2024027703-A1 PRMT5 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海艾力斯医药科技股份有限公司 2024-02-08 — — WO disclosed
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