SCHEMBL7107899

SCHEMBL7107899

COc1cccc(CC2CCN(C3CCC(O)(c4ccc(F)cc4)CC3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.54
CCR3 P51677 5/20 0.51
HTR1A P08908 1/20 0.48
SLC6A4 P31645 1/20 0.48
EED O75530 1/20 0.45
NR1D2 Q14995 1/20 0.45
HTR2A P28223 1/20 0.44

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
SCHEMBL7037557 0.86 HTR1D (0.72) HTR1D
SCHEMBL7040750 0.84 GRIN2B (0.53) HTR1DCCR3
SCHEMBL7041705 0.84 HTR1D (0.77) HTR1D
SCHEMBL7041675 0.84 HTR1D (0.69) HTR1D
SCHEMBL7035207 0.83 GRIN2B (0.52) CCR3
SCHEMBL667793 0.76 ALDH1A1 (0.61) HTR1DCCR3
SCHEMBL7038207 0.76 HTR1D (0.69) HTR1D
SCHEMBL7104731 0.76 SLC6A4 (0.52) SLC6A4
SCHEMBL7038222 0.75 HTR1D (0.63) HTR1DCCR3HTR1ASLC6A4
SCHEMBL7040179 0.74 HTR1D (0.59) 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-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