SCHEMBL7005835

SCHEMBL7005835

CCC(=O)Nc1ccc2[nH]cc(C3CCN(CC)CC3)c2n1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.82
HTR1D P28221 10/20 0.82
HTR1B P28222 9/20 0.82
HTR1A P08908 9/20 0.82
HTR2A P28223 1/20 0.82
HTR2C P28335 1/20 0.82
HTR1E P28566 1/20 0.82
HTR6 P50406 1/20 0.82
HTR4 Q13639 1/20 0.82

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
SCHEMBL7011770 0.92 HTR1F (0.83) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7014961 0.92 HTR1F (0.78) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7014002 0.90 HTR1F (0.78) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7007607 0.90 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7013589 0.90 HTR1F (0.80) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7009030 0.88 HTR1F (0.79) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7008169 0.86 HTR1F (0.74) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7009197 0.86 HTR1F (0.82) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7006417 0.86 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7014528 0.85 HTR1F (0.81) HTR1FHTR1DHTR1BHTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842934-B1 5-HT1F agonists LILLY CO ELI (US) 2003-10-29 EP 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
EP-0842934-A1 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-05-20 EP disclosed