SCHEMBL7482001

SCHEMBL7482001

CC(=O)N1CCC(c2cccc(O)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.66
DRD2 P14416 9/20 0.58
DRD3 P35462 8/20 0.54
DRD4 P21917 8/20 0.51
HTR1A P08908 7/20 0.51
DRD1 P21728 7/20 0.51
DRD5 P21918 7/20 0.51

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
SCHEMBL1558037 0.86 DRD2 (0.58) QDPRDRD2DRD3DRD4HTR1A
SCHEMBL19711151 0.84 QDPR (0.61) QDPRDRD2DRD3DRD4DRD1
SCHEMBL27304673 0.84 QDPR (0.69) QDPRDRD2
SCHEMBL1091809 0.83 QDPR (0.60) QDPRDRD2DRD3DRD4DRD1
SCHEMBL19658654 0.83 QDPR (0.60) QDPRDRD4
SCHEMBL2651932 0.83 QDPR (0.60) QDPR
SCHEMBL1473424 0.82 QDPR (0.61) QDPR
SCHEMBL14590572 0.81 QDPR (0.61) QDPRDRD2
SCHEMBL5670914 0.81 QDPR (0.57) QDPR
SCHEMBL1558412 0.80 NAMPT (0.54) DRD2DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747357-B1 Dihydropyridine NPY antagonists: piperidine derivatives BRISTOL MYERS SQUIBB CO (US) 2002-01-09 EP disclosed
US-5668151-A USEFUL AS ANOREXIGENIC AGENTS IN PROMOTING WEIGHT LOSS AND TREATING EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-09-16 US disclosed
EP-0747357-A2 Dihydropyridine NPY antagonists: piperidine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed