SCHEMBL7479809

SCHEMBL7479809

CCCC(C)N1CCC(c2c[nH]c3ccc(NC(=O)Nc4cc(F)cc(Cl)c4)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.52
DCUN1D1 Q96GG9 1/20 0.52
HTR1D P28221 18/20 0.50
HTR1B P28222 15/20 0.50
HTR1A P08908 2/20 0.50
HTR1F P30939 2/20 0.50
CCR2 P41597 1/20 0.48
CHRM2 P08172 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL7483667 0.92 UBE2M (0.48) UBE2MDCUN1D1HTR1DHTR1BHTR1A
SCHEMBL7478163 0.90 HTR1D (0.58) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL8548767 0.84 UBE2M (0.52) UBE2MDCUN1D1
SCHEMBL8548175 0.84 UBE2M (0.52) UBE2MDCUN1D1
SCHEMBL7482745 0.83 HTR1D (0.73) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7481375 0.81 MAPT (0.46) UBE2MDCUN1D1HTR1ADRD2
SCHEMBL30908794 0.80 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL7484325 0.80 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL7485654 0.80 HTR1D (0.59) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7486693 0.80 HTR1D (0.55) UBE2MDCUN1D1HTR1DHTR1BHTR1A

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