SCHEMBL7510325

SCHEMBL7510325

CCCc1ccccc1OCC(O)CN1CCC(Oc2ccc(F)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.52
DRD2 P14416 5/20 0.52
DRD3 P35462 3/20 0.52
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
ABCB1 P08183 5/20 0.44
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL7505278 0.94 DRD4 (0.59) DRD4DRD2DRD3TSHRLMNA
SCHEMBL7511059 0.89 DRD4 (0.50) DRD4DRD2DRD3TSHRABCB1
SCHEMBL6212093 0.87 DRD2 (0.47) DRD4DRD2DRD3TSHRABCB1
SCHEMBL6212018 0.86 DRD4 (0.56) DRD4DRD2DRD3TSHRLMNA
SCHEMBL7510245 0.86 DRD4 (0.51) DRD4DRD2DRD3TSHRLMNA
SCHEMBL6212964 0.83 ABCB1 (0.65) DRD4DRD2DRD3TSHRABCB1
SCHEMBL7508560 0.83 DRD4 (0.57) DRD4DRD2DRD3TSHRLMNA
SCHEMBL6211708 0.83 ABCB1 (0.63) DRD4DRD2DRD3TSHRLMNA
SCHEMBL19852437 0.82 DRD4 (0.76) DRD4DRD2DRD3TSHRLMNA
SCHEMBL21142445 0.82 DRD4 (0.76) DRD4DRD2DRD3TSHRLMNA

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-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed