SCHEMBL4405552

SCHEMBL4405552

NCCCc1cccc(OCC2CCCCC2)c1F

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.45
HTR2C P28335 1/20 0.40
PARP10 Q53GL7 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
Hydrochloric Acid SCHEMBL20187811 0.83 RIPK1 (0.46) MCHR1HTR2C
SCHEMBL18466652 0.80 MCHR1 (0.50) MCHR1PARP10
SCHEMBL13537842 0.77 MCHR1 (0.55) MCHR1HTR2CPARP10
SCHEMBL3966732 0.76 PARP10 (0.38) MCHR1PARP10
SCHEMBL16501544 0.75 SLC6A4 (0.47) MCHR1HTR2CPARP10
SCHEMBL18706829 0.75 MCHR1 (0.48) MCHR1HTR2C
SCHEMBL20083011 0.75 MCHR1 (0.48) MCHR1
SCHEMBL20190412 0.74 DUT (0.38)
SCHEMBL29786709 0.74 RIPK1 (0.54) MCHR1HTR2CPARP10
SCHEMBL20472353 0.74 RIPK1 (0.54) MCHR1HTR2CPARP10

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-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 EP disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed