SCHEMBL7485359

SCHEMBL7485359

CCCCCCN1CCC(c2c[nH]c3ccc(NC(=O)Nc4cc(I)ccc4Cl)cc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.58
HTR1D P28221 18/20 0.56
HTR1B P28222 15/20 0.56
CHRM2 P08172 1/20 0.56
DRD2 P14416 1/20 0.56
HTR1A P08908 1/20 0.49
HTR1F P30939 1/20 0.49

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
SCHEMBL7485929 0.91 HTR1D (0.52) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL7490277 0.86 CCR2 (0.59) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL7483213 0.83 HTR1D (0.64) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL7489443 0.82 HTR1D (0.63) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL27560329 0.81 HTR1D (0.67) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7475974 0.81 HTR1D (0.67) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL7487552 0.81 HTR1D (0.55) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL7488199 0.81 DRD2 (0.48) DRD2HTR1A
SCHEMBL7481584 0.81 HTR1D (0.57) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7479248 0.81 HTR1D (0.64) CCR2HTR1DHTR1BCHRM2DRD2

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