SCHEMBL25901539

SCHEMBL25901539

CC1(C)OC[C@@H](CCCN2C=Cc3cc(Br)c(F)c(F)c3C2O)N1C(=O)OCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL31058376 0.77 HTR2C (0.34) HTR2CMEN1KMT2ANPSR1
SCHEMBL25901613 0.77 HTR2C (0.34) HTR2CMEN1KMT2ANPSR1
SCHEMBL31058380 0.74 TNF (0.34) HTR2CMEN1KMT2ANPSR1
SCHEMBL26782492 0.74 TNF (0.34) HTR2CMEN1KMT2ANPSR1
SCHEMBL1568627 0.74 HTR2C (0.47) HTR2CMEN1KMT2ANPSR1
SCHEMBL1568630 0.74 HTR2C (0.47) HTR2CMEN1KMT2ANPSR1
SCHEMBL26782488 0.74 HTR2C (0.47) HTR2CMEN1KMT2ANPSR1
SCHEMBL30550825 0.73 SCD (0.37) MEN1KMT2A
SCHEMBL26782496 0.73 SCD (0.37) MEN1KMT2A
SCHEMBL1568877 0.72 HTR2C (0.49) HTR2CMEN1KMT2ANPSR1

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
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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