SCHEMBL30478337

SCHEMBL30478337

Cc1nc(C(F)(F)F)ccc1CC1CNCCO1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ CHEK1 O14757 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
SCHEMBL30478349 0.78 HRH4 (0.38) SLC6A2HTR2ASLC6A4HTR2BSLC6A3
SCHEMBL30478207 0.78 CHEK1 (0.38) SLC6A3CHEK1
SCHEMBL30478356 0.78 CHEK1 (0.38) SLC6A3CHEK1
SCHEMBL1553284 0.72 SLC6A2 (0.49) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL1961847 0.71 SLC6A2 (0.50) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL28253269 0.70 SLC6A2 (0.51) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL1552511 0.69 SLC6A4 (0.43) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL1552430 0.69 HTR1A (0.41) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL1551988 0.69 HTR1A (0.41) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL1552724 0.69 HTR1A (0.47) HTR1ASLC6A2HTR2ASLC6A4

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-4452984-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF Molecure S.A. (PL) 2024-10-30 — — EP disclosed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 — — WO disclosed
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