SCHEMBL7008488

SCHEMBL7008488

CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccnc(Cl)c4)nc23)CC1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.76
HTR1A P08908 19/20 0.76
HTR1D P28221 17/20 0.76
HTR1B P28222 17/20 0.76
HTR2A P28223 1/20 0.69
HTR2C P28335 1/20 0.69
HTR1E P28566 1/20 0.69
HTR4 Q13639 1/20 0.69

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
SCHEMBL30909241 1.00 HTR1F (0.76) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7010256 0.87 HTR1F (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7014281 0.86 HTR1A (0.81) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7011619 0.86 HTR1F (0.75) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7008481 0.84 HTR1A (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7012219 0.83 HTR1F (0.81) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7007762 0.83 HTR1A (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7009522 0.83 HTR1F (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL30909180 0.83 HTR1F (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7008308 0.83 HTR1F (0.80) HTR1FHTR1AHTR1DHTR1BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368355-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES AND THIAZOLOPYRIMIDINES Grünenthal GmbH (DE) 2003-12-10 EP claimed
WO-2002072585-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES AND THIAZOLOPYRIMIDINES USED AS ANALGESICS Grünenthal GmbH (DE) 2002-09-19 WO claimed
EP-1368355-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES AND THIAZOLOPYRIMIDINES Grünenthal GmbH (DE) 2003-12-10 EP disclosed
EP-0842934-B1 5-HT1F agonists LILLY CO ELI (US) 2003-10-29 EP disclosed
WO-2002072585-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES AND THIAZOLOPYRIMIDINES USED AS ANALGESICS Grünenthal GmbH (DE) 2002-09-19 WO disclosed
EP-1082958-A2 5-HT1F agonists in chronic pain ELI LILLY AND COMPANY (US) 2001-03-14 EP disclosed
US-5998622-A ANALGESICS; ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
US-5919936-A 5-HT1F AGONIST INTERMEDIATES ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5817671-A ANTISEROTONIN AGENT; ANALGESICS; MIGRAINE THERAPY; COMPOUND CONTAINING PYRROLO(3,2-B)PYRIDINE RING ELI LILLY AND COMPANY (US) 1998-10-06 US disclosed
EP-0842934-A1 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-05-20 EP disclosed