SCHEMBL7013258

SCHEMBL7013258

CN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccncc4)nc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 9/20 0.64
HTR1A P08908 7/20 0.60
HTR1D P28221 6/20 0.60
HTR1B P28222 6/20 0.60
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1E P28566 1/20 0.48
HTR4 Q13639 1/20 0.48

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
SCHEMBL7004660 0.90 HTR1F (0.79) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7012793 0.86 HTR1F (0.76) HTR1FHTR1AHTR1DHTR1B
SCHEMBL8457517 0.83 HTR1F (0.56) HTR1FHTR1AHTR1DHTR1BNOS3
SCHEMBL7009808 0.83 HTR1F (0.62) HTR1FHTR1AHTR1DHTR1BNOS3
SCHEMBL7016665 0.81 HTR1F (0.48) HTR1FHTR1AHTR1DHTR1BNOS3
SCHEMBL7007093 0.79 HTR1F (0.83) HTR1FHTR1AHTR1DHTR1BNOS3
SCHEMBL7012929 0.79 HTR1F (0.51) HTR1FHTR1AHTR1DHTR1BNOS3
SCHEMBL7012389 0.78 HTR1F (0.50) HTR1FHTR1ANOS3NOS1
SCHEMBL7013847 0.78 HTR1F (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL30909151 0.77 HTR1F (0.53) HTR1FHTR1A

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 6 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
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