SCHEMBL4720830

SCHEMBL4720830

O=C(O)C(c1ccccc1C(F)(F)F)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
SLC6A2 P23975 16/20 0.46
SLC6A4 P31645 16/20 0.46
SLC6A3 Q01959 3/20 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
SCHEMBL5332290 0.92 SLC6A2 (0.48) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL5309381 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL1081692 0.81 SLC6A2 (0.37) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL13114874 0.76 CACNA2D1 (0.50) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1231609 0.75 HTR2C (0.53) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL5789580 0.71 PTPN1 (0.41)
SCHEMBL27599455 0.70 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL28821897 0.70 ACP3 (0.53)
SCHEMBL3130946 0.70 ACP3 (0.53)
SCHEMBL5995236 0.69 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001848-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF DEMENTIA MERCK SHARP & DOHME LTD. (GB) 2008-12-17 EP disclosed
WO-2007110667-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF DEMENTIA MERCK SHARP & DOHME LIMITED (GB) 2007-10-04 WO disclosed
EP-1805141-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2007-07-11 EP disclosed
WO-2006043064-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-04-27 WO disclosed