SCHEMBL4596028

SCHEMBL4596028

[CH2]C1Cc2cccc(Br)c2O1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.33

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
SCHEMBL4596031 0.77 PARP1 (0.54) PARP1
SCHEMBL4596860 0.77 PARP1 (0.36) PARP1
SCHEMBL22474535 0.74 HTR1A (0.33) PARP1
SCHEMBL22474487 0.74 HTR1A (0.33) PARP1
SCHEMBL13993008 0.74 PRKAB2 (0.36) PARP1
SCHEMBL11091102 0.73 SMN1; SMN2 (0.35) PARP1
SCHEMBL23704398 0.73 CYP19A1 (0.41)
SCHEMBL4222577 0.73 KDM4E (0.41) PARP1
SCHEMBL5809840 0.73 KDM4E (0.41) PARP1
SCHEMBL5791615 0.73 PARP1 (0.33) PARP1

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-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed