SCHEMBL7488305

SCHEMBL7488305

CCCCN1CCC(c2c[nH]c3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.65
HTR1B P28222 17/20 0.64
CHRM2 P08172 1/20 0.64
DRD2 P14416 1/20 0.64
HTR1A P08908 1/20 0.56
HTR1F P30939 1/20 0.56

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
SCHEMBL7489650 0.91 HTR1D (0.60) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7484774 0.90 HTR1D (0.75) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7007101 0.86 HTR1F (0.69) HTR1DHTR1BHTR1AHTR1F
SCHEMBL7475974 0.86 HTR1D (0.67) HTR1DHTR1BCHRM2DRD2
SCHEMBL27560330 0.86 HTR1D (0.65) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7481880 0.85 HTR1D (0.90) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7477419 0.84 HTR1D (0.61) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7490277 0.84 CCR2 (0.59) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7483213 0.84 HTR1D (0.64) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7481562 0.83 HTR1D (0.60) HTR1DHTR1BCHRM2DRD2HTR1A

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