SCHEMBL30004312

SCHEMBL30004312

O=C1c2cc(CO)cc(F)c2CN1C1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.41
▸ HTR2B P41595 12/20 0.39
▸ HTR2C P28335 11/20 0.39
▸ HTR2A P28223 8/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ HTR3A P46098 2/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ ACVRL1 P37023 2/20 0.32
▸ HTR6 P50406 2/20 0.31

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
SCHEMBL27093617 1.00 PARP1 (0.41) PARP1HTR2BHTR2CHTR2AMAPK1
SCHEMBL30459676 0.83 PARP1 (0.50) PARP1HTR2BHTR2CHTR2AMAPK1
SCHEMBL30695894 0.80 HTR2C (0.49) PARP1HTR2BHTR2CHTR2AMAPK1
SCHEMBL30459786 0.78 PARP1 (0.43) PARP1HTR2BHTR2CHTR2AMAPK1
SCHEMBL30460068 0.78 HTR2B (0.49) PARP1HTR2BHTR2CHTR2AHTR3A
SCHEMBL30352141 0.76 PARP1 (0.38) PARP1HTR2BHTR2CHTR2AMAPK1
SCHEMBL30351569 0.75 PARP1 (0.38) PARP1HTR2BHTR2CHTR2AMAPK1
SCHEMBL30352331 0.74 PARP1 (0.37) PARP1HTR2BHTR2CHTR2AMAPK1
SCHEMBL30936963 0.74 PARP1 (0.45) PARP1HTR2BHTR2CHTR2AMAPK1
SCHEMBL28625341 0.74 PARP1 (0.40) PARP1HTR2BHTR2CHTR2AMAPK1

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
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