SCHEMBL31444814

SCHEMBL31444814

O=C1c2ccc(CC(O)CO)cc2CN1C1CCCNC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.45
▸ HTR2B P41595 11/20 0.45
▸ HTR2C P28335 10/20 0.45
▸ HTR2A P28223 9/20 0.45
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ MAOA P21397 2/20 0.35
▸ CRBN Q96SW2 1/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ CTSC P53634 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
SCHEMBL30460068 0.88 HTR2B (0.49) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL31444793 0.84 HTR2B (0.51) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30132224 0.83 HTR2B (0.49) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL25235039 0.83 HTR2B (0.49) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL2333387 0.83 HTR2B (0.49) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30459711 0.81 HTR2B (0.47) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30790630 0.81 HTR2B (0.47) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30459947 0.80 HTR2B (0.46) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL30790468 0.80 HTR2C (0.51) PARP1HTR2BHTR2CHTR2A
SCHEMBL30763946 0.79 CRBN (0.53) PARP1HTR2BHTR2CHTR2AHTR3E

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-2025096710-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 — — WO disclosed
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