SCHEMBL7482013

SCHEMBL7482013

CCOc1ccc(NC(=O)Nc2ccc3[nH]cc(C4CCN(C(C)CC)CC4)c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.54
HTR1B P28222 17/20 0.54
HTR1A P08908 2/20 0.52
HTR1F P30939 2/20 0.52
CCR2 P41597 1/20 0.45
CHRM2 P08172 1/20 0.45
DRD2 P14416 1/20 0.45

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
SCHEMBL7480995 0.87 HTR1D (0.55) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL7481071 0.85 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL7481902 0.84 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL8550072 0.82 MAPT (0.44) DRD2
SCHEMBL7540088 0.82 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7481581 0.81 HTR1D (0.61) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8382133 0.81 HTR1D (0.50) HTR1DHTR1BHTR1AHTR1F
SCHEMBL7489257 0.80 HTR1D (0.54) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL7489260 0.80 HTR1D (0.54) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL7477474 0.80 HTR1D (0.75) HTR1DHTR1BHTR1AHTR1FCHRM2

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
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