SCHEMBL30801858

SCHEMBL30801858

COc1cccc(C(C)CN2CCN3CCNC[C@@H]3C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.36
▸ ROCK2 O75116 1/20 0.36

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
SCHEMBL30801735 0.87 HTR2A (0.37) SLC6A2OPRM1OPRD1HTR2AHTR2C
SCHEMBL30801878 0.85 TAAR1 (0.39) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL30801876 0.84 DRD2 (0.38) SLC6A2SLC6A4HTR2AHTR2CHTR2B
SCHEMBL30801824 0.81 HSD11B1 (0.34) HTR2AHTR2CHTR2BHSD11B1
SCHEMBL23574084 0.80 NAAA (0.41) SMN1; SMN2ALDH1A1HSD11B1
SCHEMBL30801804 0.79 HTR2C (0.42) SLC6A2SLC6A4HTR2AHTR2CHTR2B
SCHEMBL30801854 0.78 ZDHHC9 (0.38) —
SCHEMBL30801898 0.78 HTR2C (0.37) HTR2AHTR2CHTR2B
SCHEMBL30801792 0.77 HSD11B1 (0.36) OPRD1HTR2AHTR2CHTR2BHSD11B1
SCHEMBL30801810 0.76 USP30 (0.35) HTR2AHTR2CHTR2B

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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