SCHEMBL7012407

SCHEMBL7012407

CCN1CCC(c2c[nH]c3ccc(N(CC)C(=O)c4ccccc4)nc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 18/20 0.54
HTR1D P28221 10/20 0.51
HTR1B P28222 9/20 0.51
HTR1A P08908 8/20 0.51
HTR2A P28223 3/20 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
HTR7 P34969 2/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL7489657 0.80 OPRM1 (0.48) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7009197 0.79 HTR1F (0.82) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7008831 0.77 HTR1F (0.51) HTR1FHTR1DHTR1BHTR1AHTR2A
Phenylacetic Acid SCHEMBL7013664 0.75 HTR1F (0.46) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7005835 0.74 HTR1F (0.82) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7014002 0.73 HTR1F (0.78) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7013501 0.73 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL8459989 0.73 HTR1F (0.54) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7012811 0.73 HTR1F (0.74) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7014961 0.72 HTR1F (0.78) 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 7 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
EP-0842934-A1 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-05-20 EP disclosed