SCHEMBL19343974

SCHEMBL19343974

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CN1CC(F)(F)CC13CCN(CCc1ccc(F)cc1)CC3)O[C@H]2c1ccc2c(N)ncnn12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.35
▸ KCNH2 Q12809 3/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ GRIN2B Q13224 1/20 0.30

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
SCHEMBL22434948 1.00 PRMT5 (0.35) PRMT5KCNH2OPRM1SIGMAR1GRIN2B
SCHEMBL19344255 0.90 OPRM1 (0.32) KCNH2OPRM1SIGMAR1
SCHEMBL22435030 0.90 PRMT5 (0.37) PRMT5KCNH2OPRM1SIGMAR1
SCHEMBL19343975 0.90 PRMT5 (0.37) PRMT5KCNH2OPRM1SIGMAR1
SCHEMBL22434992 0.89 PRMT5 (0.37) PRMT5
SCHEMBL22434945 0.89 PRMT5 (0.38) PRMT5
SCHEMBL19344190 0.87 PRMT5 (0.44) PRMT5KCNH2OPRM1SIGMAR1GRIN2B
SCHEMBL19344144 0.87 PRMT5 (0.36) PRMT5
SCHEMBL19343984 0.86 PRMT5 (0.36) PRMT5
SCHEMBL19344145 0.85 PRMT5 (0.48) PRMT5

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-2017153186-A1 SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-14 — — WO disclosed
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