SCHEMBL30004145

SCHEMBL30004145

NC(=O)Cc1ccc(C2(O)CCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
HRH3 Q9Y5N1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
LMNA P02545 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
CNR1 P21554 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8641485 0.79 ESR1 (0.50) CA2
SCHEMBL3939597 0.77 POLB (0.41) HRH3SMN1; SMN2ADRB2
SCHEMBL6482123 0.77 ABAT (0.43) HRH3
SCHEMBL17316474 0.76 CA2 (0.52) CA2SMN1; SMN2LMNATDP1
SCHEMBL11290860 0.76 CA2 (0.80) CA2
SCHEMBL15524912 0.73 HRH3 (0.41) HRH3SMN1; SMN2
SCHEMBL20267018 0.73 OPRL1 (0.54) HRH3SMN1; SMN2
SCHEMBL20300595 0.73 DRD2 (0.41) CA2HRH3
SCHEMBL28305762 0.72 CA2 (0.47) CA2
SCHEMBL7049643 0.72 DRD2 (0.47) ADRB2

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-4323350-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2024-02-21 EP disclosed
WO-2022219407-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-10-20 WO disclosed