SCHEMBL30801794

SCHEMBL30801794

O=C1[C@@H]2CNCCN2CCN1c1ncc(N2CCCC[C@@H]2Cc2ccccc2)s1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.37
▸ SLC6A4 P31645 4/20 0.37
▸ SLC6A3 Q01959 4/20 0.37
▸ ATM Q13315 10/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ CDC42BPB Q9Y5S2 2/20 0.37
▸ PIK3C3 Q8NEB9 7/20 0.36
▸ ATR Q13535 1/20 0.36
▸ PRKDC P78527 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL30801867 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ATMROCK2
SCHEMBL30801832 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ATMROCK2
SCHEMBL30801843 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ATMROCK2
SCHEMBL23574122 0.83 USP30 (0.38) ATMROCK2ROCK1CDC42BPBPIK3C3
SCHEMBL23573962 0.83 USP30 (0.38) ATMROCK2ROCK1CDC42BPBPIK3C3
SCHEMBL23573963 0.83 USP30 (0.38) ATMROCK2ROCK1CDC42BPBPIK3C3
SCHEMBL23574056 0.83 USP30 (0.38) ATMROCK2ROCK1CDC42BPBPIK3C3
SCHEMBL23574045 0.83 USP30 (0.38) ATMROCK2ROCK1CDC42BPBPIK3C3
SCHEMBL30801881 0.74 USP30 (0.45) —
SCHEMBL30801791 0.74 USP30 (0.45) —

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
EP-3793997-B1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS INC (US) 2024-03-13 — — EP claimed
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