SCHEMBL7477584

SCHEMBL7477584

CN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4Br)cc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.64
NOS3 P29474 2/20 0.59
NOS1 P29475 2/20 0.59

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
SCHEMBL7483877 0.90 SLC6A4 (0.64) SLC6A4NOS3NOS1
SCHEMBL7486116 0.87 SLC6A4 (0.63) SLC6A4NOS3NOS1
SCHEMBL7478687 0.86 NOS3 (0.69) SLC6A4NOS3NOS1
SCHEMBL7485764 0.83 SLC6A4 (0.63) SLC6A4NOS3NOS1
SCHEMBL7480892 0.81 NOS3 (0.68) SLC6A4NOS3NOS1
SCHEMBL7484094 0.81 NOS3 (0.83) SLC6A4NOS3NOS1
SCHEMBL8382132 0.80 HTR1D (0.40) SLC6A4NOS3NOS1
SCHEMBL4673448 0.80 SLC6A4 (1.00) SLC6A4
SCHEMBL7480641 0.79 NOS3 (0.69) SLC6A4NOS3NOS1
SCHEMBL8607603 0.79 SLC6A4 (0.77) SLC6A4

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