SCHEMBL30133840

SCHEMBL30133840

CCOC1CCNCC1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 1/20 0.46
HTR2C P28335 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
HTR1A P08908 1/20 0.38
MEN1 O00255 1/20 0.38
HTR2A P28223 1/20 0.38
IDH2 P48735 1/20 0.38
TP53 P04637 1/20 0.36
HTR6 P50406 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
SCHEMBL30133994 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2CL3MBTL1
SCHEMBL30134207 0.95 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2CL3MBTL1
SCHEMBL23526975 0.86 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2CKMT2A
SCHEMBL23526977 0.86 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2CKMT2A
Hydrochloric Acid SCHEMBL31133921 0.85 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3HTR2CKMT2A
SCHEMBL23526868 0.84 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2CKMT2A
SCHEMBL23564390 0.84 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2CKMT2A
SCHEMBL23526870 0.84 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2CKMT2A
Hydrochloric Acid SCHEMBL23527151 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR2CKMT2A
Hydrochloric Acid SCHEMBL30900969 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR2CKMT2A

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-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 EP disclosed
WO-2023011456-A1 PYRAZOLOPYRIDINONE COMPOUNDS BEIGENE, LTD. (KY) 2023-02-09 WO disclosed