SCHEMBL25675712

SCHEMBL25675712

CCc1cccc(-c2cnc(C(=O)N[C@@H]3C[C@@H](Cn4ccnn4)N(C(=O)OC(C)(C)C)C3)o2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.34
▸ USP30 Q70CQ3 7/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ HDAC1 Q13547 6/20 0.33
▸ HDAC6 Q9UBN7 6/20 0.33
▸ RORC P51449 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL30474019 1.00 FAAH (0.34) FAAHUSP30GRIN2BHDAC1HDAC6
SCHEMBL25675708 0.91 HDAC1 (0.42) USP30HDAC1HDAC6RORC
SCHEMBL29268997 0.91 HDAC1 (0.42) USP30HDAC1HDAC6RORC
SCHEMBL30474034 0.91 HDAC1 (0.42) USP30HDAC1HDAC6RORC
SCHEMBL29268985 0.91 HDAC1 (0.42) USP30HDAC1HDAC6RORC
SCHEMBL29268982 0.91 HDAC1 (0.42) USP30HDAC1HDAC6RORC
SCHEMBL30474006 0.91 HDAC1 (0.42) USP30HDAC1HDAC6RORC
SCHEMBL29268998 0.91 HDAC1 (0.42) USP30HDAC1HDAC6RORC
SCHEMBL25234566 0.90 FAAH (0.38) FAAHUSP30GRIN2BHDAC1HDAC6
SCHEMBL30474041 0.90 DGAT2 (0.39) HDAC1HDAC6RORC

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-2023099561-A1 SUBSTITUTED N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2023-06-08 — — WO disclosed
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