SCHEMBL7010356

SCHEMBL7010356

CCC(C)N1CCC(c2c[nH]c3ccc(NC(=S)N(C#CC(=O)O)CCCc4ccccc4)nc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.47
HTR1D P28221 12/20 0.46
HTR1B P28222 12/20 0.46
HTR1A P08908 11/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46
HTR6 P50406 1/20 0.46
HTR4 Q13639 1/20 0.46

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
SCHEMBL8460902 0.86 HTR1F (0.46) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7008470 0.78 HTR1F (0.56) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30908990 0.78 HTR1F (0.56) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7011970 0.71 HTR1F (0.82) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7009030 0.71 HTR1F (0.79) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7013755 0.71 HTR1F (0.67) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7007423 0.70 HTR1F (0.57) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7008169 0.70 HTR1F (0.74) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7012121 0.70 HTR1F (0.75) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7013362 0.69 HTR1F (0.64) 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 3 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
EP-0842934-A1 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-05-20 EP disclosed