SCHEMBL30219781

SCHEMBL30219781

CCC(NCCc1ccc(C(F)(F)F)c(Cl)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ GRM8 O00222 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ OPRK1 P41145 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ MAPT P10636 2/20 0.34

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
SCHEMBL30219785 1.00 AKR1C3 (0.40) AKR1C3AKR1C2CYP3A4CYP2D6SLC6A2
SCHEMBL25695777 0.86 MAPT (0.40) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL24046372 0.83 ADRB2 (0.38) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL30219759 0.83 ADRB2 (0.38) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL14415655 0.72 CNR1 (0.46) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10645654 0.70 GRM8 (0.52) CYP2D6L3MBTL1GRM8GRM4MEN1
SCHEMBL10645930 0.69 GRM8 (0.45) CYP3A4CYP2D6L3MBTL1GRM8GRM4
SCHEMBL10647825 0.68 KCNH2 (0.46) CYP3A4CYP2D6L3MBTL1GRM8GRM4
SCHEMBL31318376 0.67 HSD17B10 (0.60) KMT2APOLBRORCALDH1A1
SCHEMBL3630624 0.67 HSD17B10 (0.60) KMT2APOLBRORCALDH1A1

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-4153175-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2023-03-29 — — EP disclosed
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