SCHEMBL6823734

SCHEMBL6823734

CC(C)N(C1CCC1)C1COc2c(F)ccc(C(N)=O)c2C1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.73
SLC6A4 P31645 12/20 0.50

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
SCHEMBL6820323 1.00 HTR1A (0.73) HTR1ASLC6A4
SCHEMBL7617692 0.90 HTR1A (0.58) HTR1ASLC6A4
SCHEMBL7617684 0.90 HTR1A (0.58) HTR1ASLC6A4
SCHEMBL27439218 0.87 HTR1A (0.55) HTR1ASLC6A4
Robalzotan SCHEMBL4811762 0.85 HTR1A (1.00) HTR1ASLC6A4
Robalzotan SCHEMBL115079 0.85 HTR1A (1.00) HTR1ASLC6A4
SCHEMBL6820286 0.84 HTR1A (0.98) HTR1ASLC6A4
SCHEMBL6820275 0.84 HTR1A (0.98) HTR1ASLC6A4
SCHEMBL7621284 0.82 HTR1A (0.48) HTR1ASLC6A4
SCHEMBL7621296 0.82 HTR1A (0.48) HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021183-B1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-03-17 EP claimed
EP-0822813-B1 A COMBINATION OF A 5-HT UPTAKE INHIBITOR WITH A SELECTIVE 5-HT 1A ANTAGONIST ASTRAZENECA AB (SE) 2002-04-24 EP claimed
EP-0725779-B1 NOVEL (R)-5-CARBAMOYL-8-FLUORO-3-N,N-DISUBSTITUTED-AMINO-3,4-DIHYDRO-2H-1-BENZOPYRANES ASTRAZENECA AB (SE) 2001-07-11 EP claimed
US-6159972-A Combination of a selective 5-HT1A antagonist and a selective ub. h5-HT.s1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 US claimed
EP-1021183-A1 A COMBINATION OF A SELECTIVE 5-HT 1A? ANTAGONIST AND A SELECTIVE h5-HT 1B? ANTAGONIST OR PARTIAL AGONIST AstraZeneca AB (SE) 2000-07-26 EP claimed
US-5962514-A Combination of 5-HT uptake inhibitor with a selective 5-HT1A antagonist ASTRA AKTIEBOLAG (SE) 1999-10-05 US claimed
WO-1999013876-A1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 1999-03-25 WO claimed
EP-1021183-B1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-0822813-B1 A COMBINATION OF A 5-HT UPTAKE INHIBITOR WITH A SELECTIVE 5-HT 1A ANTAGONIST ASTRAZENECA AB (SE) 2002-04-24 EP disclosed
EP-0725779-B1 NOVEL (R)-5-CARBAMOYL-8-FLUORO-3-N,N-DISUBSTITUTED-AMINO-3,4-DIHYDRO-2H-1-BENZOPYRANES ASTRAZENECA AB (SE) 2001-07-11 EP disclosed
CN-1062269-C Novel(R)-5-carbamyl-8-fluoro-3-N,N-disubstituted-amino-3,4-dihydro-2H-1-benzopyranes ASTRA AKTIEBOLAY (SE) 2001-02-21 CN disclosed
US-6159972-A Combination of a selective 5-HT1A antagonist and a selective ub. h5-HT.s1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 US disclosed
US-5990114-A ADMINISTERING 1,4-SUBSTITUTED PIPERAZINE DERIVATIVES OF GIVEN FORMULA TO TREAT NEUROMUSCULAR DYSFUNCTION OF THE LOWER URINARY TRACT; BOTH PRE- AND POST-SYNAPTIC ANTAGONISM; SUCH AS 1-(2-((2-PYRIDYLAMINO)ETHYL)-4-(4-INDOLYL)PIPERAZINE RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-11-23 US disclosed
US-5962514-A Combination of 5-HT uptake inhibitor with a selective 5-HT1A antagonist ASTRA AKTIEBOLAG (SE) 1999-10-05 US disclosed
EP-0906100-A1 USE OF 5-HT 1A? RECEPTOR ANTAGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1999-04-07 EP disclosed
EP-0822813-A1 A COMBINATION OF A 5-HT UPTAKE INHIBITOR WITH A SELECTIVE 5-HT 1A? ANTAGONIST Astra Aktiebolag (SE) 1998-02-11 EP disclosed
WO-1997031637-A1 USE OF 5-HT1A RECEPTOR ANTAGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-09-04 WO disclosed
US-5616610-A CENTRAL NERVOUS SYSTEM DISORDERS ASTRA AKTIEBOLAG (SE) 1997-04-01 US disclosed
CN-1136811-A Novel(R)-5-carbamyl-8-fluoro-3-N,N-disubstituted-amino-3,4-dihydro-2H-1-benzopyranes ASTRA AB (SE) 1996-11-27 CN disclosed
WO-1996033710-A1 A COMBINATION OF A 5-HT UPTAKE INHIBITOR WITH A SELECTIVE 5-HT1A ANTAGONIST ASTRA AKTIEBOLAG (SE) 1996-10-31 WO disclosed