SCHEMBL23585219

SCHEMBL23585219

CCCCCCNC1CCCC(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.45
▸ USP30 Q70CQ3 9/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM5A P29375 1/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ NAAA Q02083 1/20 0.39

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
SCHEMBL23019789 0.98 EPHX1 (0.46) EPHX1USP30ALDH1A1KDM5AEPHX2
SCHEMBL25021947 0.85 EPHX1 (0.47) EPHX1USP30ALDH1A1EPHX2MEN1
SCHEMBL28969019 0.85 EPHX1 (0.47) EPHX1USP30ALDH1A1EPHX2MEN1
SCHEMBL29042867 0.84 EPHX1 (0.48) EPHX1USP30ALDH1A1EPHX2MEN1
SCHEMBL29042882 0.84 EPHX1 (0.48) EPHX1USP30ALDH1A1EPHX2MEN1
SCHEMBL29042866 0.84 EPHX1 (0.48) EPHX1USP30ALDH1A1EPHX2MEN1
SCHEMBL13696758 0.83 EPHX1 (0.58) EPHX1USP30ALDH1A1KDM5AEPHX2
SCHEMBL28779682 0.82 USP30 (0.48) EPHX1USP30ALDH1A1MEN1MAPT
SCHEMBL28779683 0.82 USP30 (0.48) EPHX1USP30ALDH1A1MEN1MAPT
SCHEMBL28779703 0.81 EPHX1 (0.48) EPHX1USP30ALDH1A1EPHX2MEN1

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
EP-3943490-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2022-01-26 — — EP disclosed
EP-3842427-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2021-06-30 — — EP disclosed
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