SCHEMBL4595481

SCHEMBL4595481

Cc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC([CH]Cc1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.43
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4596675 0.85 AQP1 (0.37) AQP1TDP1L3MBTL1
SCHEMBL4596103 0.85 AQP1 (0.43) AQP1L3MBTL1
SCHEMBL4596492 0.83 AQP1 (0.36) AQP1
SCHEMBL4595082 0.81 AQP1 (0.33) AQP1
SCHEMBL4596399 0.79 HTR1A (0.34) AQP1TDP1L3MBTL1
SCHEMBL4595484 0.79 AQP1 (0.51) AQP1
SCHEMBL6047944 0.77 P2RX7 (0.38) TDP1L3MBTL1
SCHEMBL4596984 0.76 AQP1 (0.45) AQP1L3MBTL1
SCHEMBL4596741 0.76 AQP1 (0.48) AQP1
SCHEMBL4596735 0.74 AQP1 (0.47) AQP1

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
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed