SCHEMBL4598045

SCHEMBL4598045

COCC(C)C1(c2cccc(Cl)c2)CNC(=O)N1C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.43
SLC6A2 P23975 8/20 0.43
SLC6A3 Q01959 8/20 0.43
DPP4 P27487 3/20 0.36
AVPR1B P47901 1/20 0.35
HPGD P15428 1/20 0.34
DRD2 P14416 1/20 0.34
DPP9 Q86TI2 1/20 0.33
TNF P01375 1/20 0.33
LITAF Q99732 1/20 0.33
HTR6 P50406 4/20 0.32
DPP8 Q6V1X1 1/20 0.32

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
SCHEMBL4597871 0.80 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3DPP4DRD2
SCHEMBL4597529 0.74 BACE1 (0.38) SLC6A4SLC6A2SLC6A3DPP4DRD2
SCHEMBL4596366 0.72 CHRM2 (0.37) SLC6A4SLC6A3DPP4DRD2DPP9
SCHEMBL4596721 0.72 CHRM2 (0.37) SLC6A4SLC6A3DPP4DRD2DPP9
SCHEMBL4597825 0.70 CHRM2 (0.39) SLC6A4DPP4DRD2DPP9HTR6
SCHEMBL4596506 0.69 DRD2 (0.34) SLC6A4SLC6A2SLC6A3DPP4DRD2
SCHEMBL4597256 0.69 DRD2 (0.34) SLC6A4SLC6A2SLC6A3DPP4DRD2
SCHEMBL4598352 0.69 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3DPP4DRD2
SCHEMBL4597579 0.68 DRD2 (0.33) SLC6A4SLC6A2SLC6A3DPP4DRD2
SCHEMBL5572797 0.65 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3HPGDDRD2

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed