SCHEMBL7007101

SCHEMBL7007101

CCCCN1CCC(c2c[nH]c3ccc(NC(=O)Nc4ccc(F)c(F)c4)nc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.69
HTR1D P28221 11/20 0.65
HTR1B P28222 10/20 0.65
HTR1A P08908 8/20 0.55
HTR2A P28223 2/20 0.55
HTR2C P28335 2/20 0.55
HTR1E P28566 2/20 0.55
HTR4 Q13639 2/20 0.55
HTR6 P50406 1/20 0.55

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
SCHEMBL7488305 0.86 HTR1D (0.65) HTR1FHTR1DHTR1BHTR1A
SCHEMBL7013589 0.82 HTR1F (0.80) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7014539 0.81 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7013905 0.81 HTR1F (0.70) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7012801 0.79 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL8458326 0.78 HTR1F (0.68) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7489650 0.78 HTR1D (0.60) HTR1FHTR1DHTR1BHTR1A
SCHEMBL7012060 0.77 HTR1F (0.79) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7484774 0.77 HTR1D (0.75) HTR1FHTR1DHTR1BHTR1A
SCHEMBL7011770 0.77 HTR1F (0.83) 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
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed
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