SCHEMBL30747124

SCHEMBL30747124

O=C1c2cc(N3CCC(CO)CC3)ccc2CN1C1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.44
HTR2C P28335 11/20 0.39
HTR2B P41595 11/20 0.39
HTR2A P28223 10/20 0.39
CRBN Q96SW2 1/20 0.37
MAP3K5 Q99683 2/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 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
SCHEMBL30747194 0.89 PARP1 (0.46) PARP1HTR2CHTR2BHTR2ACRBN
SCHEMBL30069799 0.89 PARP1 (0.46) PARP1HTR2CHTR2BHTR2ACRBN
SCHEMBL30595369 0.84 PARP1 (0.42) PARP1HTR2CHTR2BHTR2ACRBN
SCHEMBL27376597 0.82 CRBN (0.42) CRBNMAP3K5ITGB3ITGA2B
SCHEMBL30747080 0.81 HTR2C (0.41) PARP1HTR2CHTR2BHTR2ACRBN
SCHEMBL29966331 0.81 PARP1 (0.46) PARP1HTR2CHTR2BHTR2AHTR3E
SCHEMBL29966514 0.81 PARP1 (0.46) PARP1HTR2CHTR2BHTR2AHTR3E
SCHEMBL26625271 0.81 PARP1 (0.46) PARP1HTR2CHTR2BHTR2AHTR3E
SCHEMBL30695894 0.79 HTR2C (0.49) PARP1HTR2CHTR2BHTR2ACRBN
SCHEMBL5863984 0.79 HTR6 (0.42) HTR2CHTR2BHTR2ACRBNITGB3

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-4522621-A1 6,6A,7,8,9,10-HEXAHYDRO-5H-PYRAZINO[1',2':4,5]PYRAZINO[2,3-C]PYRIDAZINE DERIVATIVES AS SMARCA4 PROTEIN DEGRADERS FOR THE TREATMENT OF CANCER Prelude Therapeutics Incorporated (US) 2025-03-19 EP disclosed
WO-2023220577-A1 6,6A,7,8,9,10-HEXAHYDRO-5H-PYRAZINO[1',2':4,5]PYRAZINO[2,3-C]PYRIDAZINE DERIVATIVES AS SMARCA4 PROTEIN DEGRADERS FOR THE TREATMENT OF CANCER PRELUDE THERAPEUTICS, INCORPORATED (US) 2023-11-16 WO disclosed