SCHEMBL7015495

SCHEMBL7015495

CCCCN1CCC(c2c[nH]c3ccc(N)nc23)CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 15/20 0.72
HTR1D P28221 9/20 0.72
HTR1B P28222 8/20 0.72
HTR1A P08908 3/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1E P28566 1/20 0.48
HTR6 P50406 1/20 0.48
HTR4 Q13639 1/20 0.48
SLC6A4 P31645 2/20 0.46
DRD2 P14416 1/20 0.46
ADRA1D P25100 1/20 0.45

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
SCHEMBL7009821 0.93 HTR1F (0.75) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7012811 0.88 HTR1F (0.74) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7007941 0.84 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30909195 0.82 HTR1F (0.55) HTR1FHTR1DHTR1BSLC6A4ADRA1D
SCHEMBL7011040 0.82 HTR1F (0.57) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7009425 0.82 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30909021 0.82 HTR1F (0.59) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7010396 0.82 HTR1F (0.59) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7005987 0.80 HTR1F (0.57) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30908780 0.80 HTR1F (0.57) 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 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