SCHEMBL22904441

SCHEMBL22904441

O=C1CC2(CCN(c3ccc(F)cc3Cl)CC2)CC(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.46
▸ ADRA1A P35348 3/20 0.46
▸ ADRA1B P35368 3/20 0.46
▸ ADRA1D P25100 2/20 0.42
▸ P2RX7 Q99572 5/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GRM5 P41594 2/20 0.39
▸ NOX4 Q9NPH5 1/20 0.38

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
SCHEMBL22904557 0.79 HTR1A (0.51) HTR1AADRA1AADRA1BNPC1MAPK1
SCHEMBL22904352 0.75 CYP3A4 (0.49) MAPK1GAAMEN1KMT2ATP53
SCHEMBL10112002 0.74 HTR1A (0.47) HTR1AADRA1AADRA1BFFAR1FFAR4
SCHEMBL17542688 0.73 SMN1; SMN2 (0.41) P2RX7NPC1GAAMEN1CASP6
SCHEMBL30952449 0.72 ADRB1 (0.56) HTR1ADRD2KDRALDH1A1
SCHEMBL231592 0.72 ADRB1 (0.56) HTR1ADRD2KDRALDH1A1
SCHEMBL20103179 0.71 HTR1A (0.48) HTR1AADRA1AADRA1BADRA1DP2RX7
SCHEMBL22904468 0.71 P2RX7 (0.42) P2RX7GAAMEN1CASP6KMT2A
SCHEMBL22904456 0.71 HTR1A (0.55) HTR1AADRA1BMEN1KMT2ALMNA
SCHEMBL22246115 0.71 ALDH1A1 (0.57) HTR1AADRA1AADRA1BADRA1DGAA

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-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 — — WO disclosed
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