SCHEMBL14529641

SCHEMBL14529641

CCNS(=O)(=O)c1cc(C(=O)CCCCN(CCc2ccccc2OC(F)(F)F)C(=O)OC(C)(C)C)cc2c1CCC2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.34
SLC6A3 Q01959 4/20 0.34
SLC6A2 P23975 1/20 0.33
METAP2 P50579 5/20 0.33
CA14 Q9ULX7 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL5576963 0.93 DRD2 (0.35) DRD2SLC6A3SLC6A2METAP2CA14
SCHEMBL5576790 0.90 DRD2 (0.36) DRD2SLC6A3SLC6A2METAP2CA14
SCHEMBL5576958 0.85 DRD2 (0.36) DRD2SLC6A3SLC6A2METAP2SCN9A
SCHEMBL5335228 0.81 DRD2 (0.35) DRD2SLC6A3SLC6A2METAP2SCN9A
SCHEMBL5329226 0.81 ACHE (0.37) METAP2CA14
SCHEMBL14513381 0.80 PTGS1 (0.35) DRD2SLC6A3CA14SCN9A
SCHEMBL14513382 0.80 ACKR3 (0.34) DRD2SLC6A3SLC6A2SCN9A
SCHEMBL5577157 0.78 SLC2A1 (0.37) DRD2SLC6A3SLC6A2METAP2
SCHEMBL5312226 0.78 PTGS1 (0.36) DRD2SLC6A3SLC6A2
SCHEMBL13987175 0.78 ACHE (0.43) DRD2SLC6A3SLC6A2

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-2007052831-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-10 WO disclosed