SCHEMBL4464229

SCHEMBL4464229

OCCOc1cc(F)cc2c1OCCC2

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.50
SLC6A4 P31645 5/20 0.50
PARP1 P09874 1/20 0.39

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
SCHEMBL7485074 0.86 HTR1A (0.50) HTR1ASLC6A4PARP1
SCHEMBL7479640 0.86 HTR1A (0.50) HTR1ASLC6A4PARP1
SCHEMBL12126135 0.84 HTR1A (0.49) HTR1ASLC6A4
SCHEMBL7486645 0.77 HTR1A (0.48) HTR1ASLC6A4PARP1
SCHEMBL11127581 0.72 ESR1 (0.34) HTR1ASLC6A4
SCHEMBL11124024 0.72 PIN1 (0.40) HTR1ASLC6A4
SCHEMBL7489213 0.72 PARP1 (0.47) HTR1ASLC6A4PARP1
SCHEMBL4344995 0.71 PARP1 (0.46) HTR1ASLC6A4PARP1
SCHEMBL13131963 0.70 REN (0.38) HTR1ASLC6A4
SCHEMBL6974185 0.69 PARP1 (0.38) HTR1ASLC6A4PARP1

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-1992361-B1 Remedy or preventive for digestive ulcer ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
EP-1783116-B1 2-PHENYLPYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2009-08-26 EP disclosed