SCHEMBL7037557

SCHEMBL7037557

COc1cccc(CN2CCN(C3CCC(O)(c4ccc(F)cc4)CC3)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.72

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
SCHEMBL7038207 0.89 HTR1D (0.69) HTR1D
SCHEMBL7040179 0.88 HTR1D (0.59) HTR1D
SCHEMBL667793 0.87 ALDH1A1 (0.61) HTR1D
SCHEMBL7107899 0.86 HTR1D (0.54) HTR1D
SCHEMBL7038215 0.84 HTR1D (0.54) HTR1D
SCHEMBL7299616 0.84 HTR1D (0.66) HTR1D
SCHEMBL9035305 0.84 HTR1D (1.00) HTR1D
SCHEMBL7040756 0.83 HTR1D (0.62) HTR1D
SCHEMBL7305248 0.83 HTR1D (0.57) HTR1D
SCHEMBL8187682 0.81 TRPV6 (0.56) 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 9 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-1037637-A1 USE OF 5HT1A RECEPTOR ANTAGONISTS FOR PREVENTING AND/OR TREATING TEMPORAL LOBE EPILEPSY PRINCETON UNIVERSITY (US) 2000-09-27 EP disclosed
WO-1999029323-A1 USE OF 5HT1A RECEPTOR ANTAGONISTS FOR PREVENTING AND/OR TREATING TEMPORAL LOBE EPILEPSY PRINCETON UNIVERSITY (US) 1999-06-17 WO 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