SCHEMBL30801804

SCHEMBL30801804

COc1cccc(C(C)CN2CCN3CCNC[C@@H]3C2=O)c1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 11/20 0.42
▸ HTR2A P28223 10/20 0.42
▸ HTR2B P41595 10/20 0.42
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ PNKP Q96T60 1/20 0.33
▸ TACR1 P25103 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
SCHEMBL23574091 0.82 USP30 (0.41) TACR1
SCHEMBL30986842 0.82 USP30 (0.41) TACR1
SCHEMBL30801858 0.79 SLC6A2 (0.40) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL30801735 0.78 HTR2A (0.37) HTR2CHTR2AHTR2BSLC6A2
SCHEMBL30801878 0.77 TAAR1 (0.39) HTR2CHTR2AHTR2BTAAR1
SCHEMBL30801824 0.74 HSD11B1 (0.34) HTR2CHTR2AHTR2B
SCHEMBL30801854 0.73 ZDHHC9 (0.38) KCNH2
SCHEMBL30801876 0.73 DRD2 (0.38) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL30801898 0.72 HTR2C (0.37) HTR2CHTR2AHTR2BTAAR1
SCHEMBL30801810 0.72 USP30 (0.35) HTR2CHTR2AHTR2BTACR1

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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