SCHEMBL7484342

SCHEMBL7484342

CCCCCN1CCC(c2c[nH]c3ccc(NC(=O)Nc4cccc(C(=O)OC)c4)cc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.58
HTR1B P28222 16/20 0.58
CHRM2 P08172 1/20 0.58
DRD2 P14416 1/20 0.58

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
SCHEMBL7487561 0.91 HTR1D (0.59) HTR1DHTR1BCHRM2DRD2
SCHEMBL7483816 0.89 HTR1D (0.59) HTR1DHTR1BCHRM2DRD2
SCHEMBL7474419 0.87 HTR1D (0.59) HTR1DHTR1BCHRM2DRD2
SCHEMBL7475974 0.87 HTR1D (0.67) HTR1DHTR1BCHRM2DRD2
SCHEMBL7482202 0.85 HTR1D (0.63) HTR1DHTR1BCHRM2DRD2
SCHEMBL7480403 0.85 HTR1D (0.74) HTR1DHTR1BCHRM2DRD2
SCHEMBL7482309 0.84 HTR1D (0.76) HTR1DHTR1BCHRM2DRD2
SCHEMBL8549267 0.84 DRD2 (0.46) DRD2
SCHEMBL7483213 0.83 HTR1D (0.64) HTR1DHTR1BCHRM2DRD2
SCHEMBL30909141 0.83 HTR1D (0.66) HTR1DHTR1BCHRM2DRD2

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