SCHEMBL7489588

SCHEMBL7489588

CC(C)c1cccc(NC(=O)Nc2ccc3[nH]cc(C4CCN(C(C)C)CC4)c3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.56
HTR1B P28222 16/20 0.56
HTR1A P08908 2/20 0.56
HTR1F P30939 2/20 0.56
APP P05067 1/20 0.45
CHRM2 P08172 1/20 0.45
DRD2 P14416 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
SCHEMBL7486039 0.86 HTR1D (0.53) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8382853 0.85 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7483808 0.84 HTR1D (0.55) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL7484150 0.82 HTR1D (0.65) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8548755 0.81 CA2 (0.43) DRD2
SCHEMBL8548440 0.81 CA2 (0.43) DRD2
Phthalic Acid SCHEMBL7011378 0.80 HTR1F (0.55) HTR1DHTR1BHTR1AHTR1F
SCHEMBL7481815 0.79 HTR1D (0.76) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL27560332 0.79 HTR1D (0.57) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL7489353 0.79 HTR1D (0.58) HTR1DHTR1BHTR1AHTR1FCHRM2

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-0733628-B9 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2002-06-12 EP disclosed
EP-0733628-B1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2000-12-27 EP disclosed
US-5962474-A ANALGESICS; HEADACHES ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
US-5708008-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
WO-1996029075-A1 5-SUBSTITUTED-3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)- AND 3-(PIPERIDIN-4-YL)-1H-INDOLES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1996-09-26 WO disclosed
EP-0733628-A1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1h-indoles: new 5-ht1f agonists ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed