SCHEMBL22556902

SCHEMBL22556902

COC[C@@H]1C[C@@H](NC(=O)c2cc(Br)c(C)cn2)CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.38
▸ ANPEP P15144 2/20 0.38
▸ RIPK1 Q13546 1/20 0.35
▸ SMYD3 Q9H7B4 2/20 0.33
▸ CHRNA7 P36544 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ CHRM4 P08173 4/20 0.33
▸ TRPC6 Q9Y210 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ KCNJ1 P48048 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL22556900 1.00 MMP2 (0.38) MMP2ANPEPRIPK1SMYD3CHRNA7
SCHEMBL22557643 0.80 MMP2 (0.37) MMP2ANPEPRIPK1SMYD3CHRM4
SCHEMBL22556925 0.79 GRM5 (0.40) ABL1USP30KCNJ1KCNH2
SCHEMBL22468535 0.75 ABL1 (0.49) SMYD3ABL1
SCHEMBL22557386 0.73 USP30 (0.48) MMP2ANPEPSMYD3USP30
SCHEMBL22556913 0.71 LRRK2 (0.41) USP30
SCHEMBL3954087 0.67 CTSL (0.53) MMP2
SCHEMBL25305510 0.67 HDAC1 (0.50) RIPK1KCNH2
SCHEMBL25258088 0.67 HDAC1 (0.50) RIPK1KCNH2
SCHEMBL28971352 0.67 HDAC1 (0.50) RIPK1KCNH2

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-2020212351-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 — — WO disclosed
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