SCHEMBL7007762

SCHEMBL7007762

Cc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 1.00
HTR1F P30939 20/20 1.00
HTR1B P28222 17/20 1.00
HTR1D P28221 16/20 1.00
HTR2A P28223 1/20 0.72
HTR2C P28335 1/20 0.72
HTR1E P28566 1/20 0.72
HTR4 Q13639 1/20 0.72

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
SCHEMBL7014281 0.90 HTR1A (0.81) HTR1AHTR1FHTR1BHTR1DHTR2A
SCHEMBL7005611 0.90 HTR1A (0.81) HTR1AHTR1FHTR1BHTR1DHTR2A
SCHEMBL7013867 0.90 HTR1F (1.00) HTR1AHTR1FHTR1BHTR1DHTR2A
SCHEMBL7008481 0.89 HTR1A (1.00) HTR1AHTR1FHTR1BHTR1DHTR2A
SCHEMBL7013190 0.88 HTR1F (1.00) HTR1AHTR1FHTR1BHTR1DHTR2A
SCHEMBL7013468 0.88 HTR1A (1.00) HTR1AHTR1FHTR1BHTR1DHTR2A
SCHEMBL7005942 0.87 HTR1A (1.00) HTR1AHTR1FHTR1BHTR1DHTR2A
SCHEMBL30908979 0.87 HTR1F (0.76) HTR1AHTR1FHTR1BHTR1DHTR2A
SCHEMBL7006913 0.87 HTR1A (1.00) HTR1AHTR1FHTR1BHTR1DHTR2A
SCHEMBL7009268 0.87 HTR1F (0.76) HTR1AHTR1FHTR1BHTR1DHTR2A

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