SCHEMBL7036364

SCHEMBL7036364

OC1(c2ccc3c(c2)OCO3)CCC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.68

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
SCHEMBL7036336 0.90 HTR1D (0.66) HTR1D
SCHEMBL7040794 0.81 HTR1D (1.00) HTR1D
SCHEMBL9035485 0.79 HTR1D (0.74) HTR1D
SCHEMBL8192038 0.78 HTR1D (0.64) HTR1D
SCHEMBL7040198 0.76 HTR1D (0.80) HTR1D
SCHEMBL9036226 0.76 HTR1D (0.76) HTR1D
SCHEMBL7035190 0.76 HTR1D (0.76) HTR1D
SCHEMBL9035890 0.76 HTR1D (0.76) HTR1D
SCHEMBL9035720 0.76 HTR1D (0.76) HTR1D
SCHEMBL8192046 0.75 HTR1D (0.68) HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546583-B1 Piperazinyl-and piperidinyl-cyclohexanols BRISTOL MYERS SQUIBB CO (US) 1996-05-22 EP claimed
EP-0546583-A1 Piperazinyl-and piperidinyl-cyclohexanols Bristol-Myers Squibb Company (US) 1993-06-16 EP claimed
EP-1037637-B1 USE OF 5HT1A RECEPTOR ANTAGONISTS FOR PREVENTING AND/OR TREATING TEMPORAL LOBE EPILEPSY UNIV PRINCETON (US) 2003-03-19 EP disclosed
EP-0546583-B1 Piperazinyl-and piperidinyl-cyclohexanols BRISTOL MYERS SQUIBB CO (US) 1996-05-22 EP disclosed
US-5478828-A Anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-26 US disclosed
US-5387593-A Anxiolytic agents BRISTON-MYERS SQUIBB (US) 1995-02-07 US disclosed
EP-0546583-A1 Piperazinyl-and piperidinyl-cyclohexanols Bristol-Myers Squibb Company (US) 1993-06-16 EP disclosed