SCHEMBL21243673

SCHEMBL21243673

Cc1ccc(Cl)cc1OC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.47
HTR2B P41595 5/20 0.47
CSNK2A1 P68400 2/20 0.44
SLC6A4 P31645 2/20 0.43
HTR6 P50406 1/20 0.43
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL5375462 0.85 HTR2C (0.60) HTR2CHTR2BSLC6A4HTR6
SCHEMBL12794525 0.81 ADRB2 (0.48) CSNK2A1PDE4BPDE4D
SCHEMBL2909706 0.81 PDE4A (0.51) CSNK2A1SLC6A4PDE4BPDE4D
SCHEMBL8296638 0.80 ADRB2 (0.47) CSNK2A1PDE4BPDE4D
SCHEMBL24925307 0.79 EIF4E (0.43) CSNK2A1SLC6A4
SCHEMBL1047958 0.79 ALDH1A1 (0.42) CSNK2A1PDE4BPDE4D
SCHEMBL29952216 0.78 PDE4B (0.41) HTR2CHTR2BCSNK2A1SLC6A4HTR6
SCHEMBL13722591 0.78 PDE4B (0.41) HTR2CHTR2BCSNK2A1SLC6A4HTR6
SCHEMBL23665255 0.78 RBP4 (0.41) HTR2CHTR2BCSNK2A1SLC6A4HTR6
SCHEMBL18768218 0.78 RORC (0.46) HTR2CHTR2B

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-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 WO disclosed