SCHEMBL1388352

SCHEMBL1388352

O=c1[nH]nc(CCN2CCC(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccccc3)CC2)[nH]1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.84
SLC6A4 P31645 7/20 0.62

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
SCHEMBL1388290 0.84 TACR1 (1.00) TACR1SLC6A4
SCHEMBL1388571 0.83 TACR1 (0.85) TACR1SLC6A4
SCHEMBL8105138 0.83 TACR1 (0.84) TACR1SLC6A4
SCHEMBL1388353 0.80 TACR1 (0.69) TACR1SLC6A4
SCHEMBL8119043 0.80 TACR1 (0.79) TACR1SLC6A4
SCHEMBL1388549 0.78 TACR1 (0.77) TACR1SLC6A4
SCHEMBL1388811 0.78 TACR1 (0.73) TACR1SLC6A4
SCHEMBL1388284 0.78 TACR1 (1.00) TACR1SLC6A4
SCHEMBL8920066 0.78 TACR1 (0.73) TACR1SLC6A4
SCHEMBL1388640 0.77 TACR1 (0.81) TACR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666856-B1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME (GB) 2000-01-05 EP claimed
US-5620989-A NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; PARTICULARLY ANTAGONISTIC FOR SUBSTANCE P MERCK SHARP & DOHME LIMITED (GB) 1997-04-15 US claimed
JP-H08502510-A 1996-03-19 JP claimed
EP-0666856-A1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1995-08-16 EP claimed
WO-1994010165-A1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-05-11 WO claimed
EP-0666856-B1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME (GB) 2000-01-05 EP disclosed
US-5620989-A NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; PARTICULARLY ANTAGONISTIC FOR SUBSTANCE P MERCK SHARP & DOHME LIMITED (GB) 1997-04-15 US disclosed
EP-0666856-A1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1995-08-16 EP disclosed
WO-1994010165-A1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-05-11 WO disclosed