SCHEMBL7481598

SCHEMBL7481598

CCCN1CCC(c2c[nH]c3ccc(NC(=O)Nc4cccc(-c5ccccc5)c4)cc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.57
HTR1B P28222 16/20 0.57
HTR1A P08908 1/20 0.56
HTR1F P30939 1/20 0.56
CHRM2 P08172 1/20 0.54
DRD2 P14416 1/20 0.54
HTR6 P50406 1/20 0.53

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
SCHEMBL9039777 0.86 HTR1D (0.55) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7488092 0.86 HTR1D (0.57) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7484678 0.85 HTR1D (0.73) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7487625 0.84 HTR1D (0.72) HTR1DHTR1BHTR1AHTR1FHTR6
SCHEMBL7481600 0.83 HTR1D (0.58) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7480617 0.83 CCR2 (0.61) HTR1DHTR1BCHRM2DRD2
SCHEMBL7481815 0.83 HTR1D (0.76) HTR1DHTR1BHTR1AHTR1FHTR6
SCHEMBL7474419 0.82 HTR1D (0.59) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7483816 0.82 HTR1D (0.59) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8547948 0.82 DRD2 (0.56) DRD2

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 5 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
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