SCHEMBL7103416

SCHEMBL7103416

CNS(=O)(=O)Cc1ccc2[nH]cc(CC3CCCN3C)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 1.00
HTR1D P28221 5/20 1.00
HTR1A P08908 3/20 0.66
CHRM2 P08172 1/20 0.66
ADRA2A P08913 1/20 0.66
CHRM1 P11229 1/20 0.66
DRD1 P21728 1/20 0.66
SLC6A2 P23975 1/20 0.66
OPRM1 P35372 1/20 0.66
SLC6A3 Q01959 1/20 0.66
HRH3 Q9Y5N1 1/20 0.66
HTR6 P50406 12/20 0.61

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
SCHEMBL7103413 1.00 HTR1B (1.00) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL29391208 1.00 HTR1B (1.00) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8790026 0.97 HTR1B (0.94) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8790021 0.97 HTR1B (0.94) HTR1BHTR1DHTR1ACHRM2ADRA2A
Fumaric Acid SCHEMBL7834727 0.93 HTR1B (0.86) HTR1BHTR1DHTR1ACHRM2ADRA2A
Fumaric Acid SCHEMBL7834732 0.93 HTR1B (0.86) HTR1BHTR1DHTR1ACHRM2ADRA2A
Fumaric Acid SCHEMBL7834729 0.93 HTR1B (0.86) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8789303 0.91 HTR1B (0.83) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8789309 0.91 HTR1B (0.83) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL9079373 0.91 HTR1B (0.83) HTR1BHTR1DHTR1ACHRM2ADRA2A

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696194-B1 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS PFIZER (US) 2002-08-21 EP claimed
EP-0827503-B1 PYRROLIDINYL METHYL INDOLE SALT PFIZER RES & DEV (IE) 2000-07-26 EP claimed
US-5994387-A MIGRAINE THERAPY PFIZER INC. (US) 1999-11-30 US claimed
EP-0592438-B1 INDOLE DERIVATIVES PFIZER (US) 1997-08-27 EP claimed
US-5618834-A Indole derivatives in the treatment of emesis PFIZER INC. (US) 1997-04-08 US claimed
US-5607951-A SEROTONIN AGONIST FOR NERVOUS SYSTEM DISORDERS, ANALGESICS AND PSYCHOTHERAPEUTICS PFIZER INC (US) 1997-03-04 US claimed
EP-0714659-A2 Indole derivatives in the treatment of emesis Pfizer Limited (GB) 1996-06-05 EP claimed
EP-0696194-A1 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS PFIZER INC. (US) 1996-02-14 EP claimed
WO-1994025023-A9 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS 1995-10-05 WO claimed
WO-1994025023-A1 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS PFIZER INC. (US) 1994-11-10 WO claimed
EP-0592438-A1 INDOLE DERIVATIVES. PFIZER (US) 1994-04-20 EP claimed
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 WO claimed
JP-8245383-A None JP disclosed
CN-1515252-A Application of indole derivative as SHTI excitomotor 2004-07-28 CN disclosed
CN-1515252-A Application of indole derivative as SHTI excitomotor 2004-07-28 CN disclosed
CN-1509713-A Indole derivative use as 5HT1 antagonist agent 2004-07-07 CN disclosed
WO-1994025023-A1 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS PFIZER INC. (US) 1994-11-10 WO disclosed
WO-1994025023-A1 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS PFIZER INC. (US) 1994-11-10 WO disclosed
EP-0592438-A1 INDOLE DERIVATIVES. PFIZER (US) 1994-04-20 EP disclosed
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 WO disclosed