SCHEMBL7480838

SCHEMBL7480838

CCCCCCN1CC=C(c2c[nH]c3ccc(NC(=O)c4cc(I)ccc4Cl)cc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.49
HTR1A P08908 6/20 0.47
SLC6A4 P31645 6/20 0.47
HTR7 P34969 6/20 0.47
HTR6 P50406 6/20 0.47
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 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
SCHEMBL7475341 0.90 DRD2 (0.55) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL7477365 0.89 DRD2 (0.53) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL7488199 0.89 DRD2 (0.48) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL7478680 0.87 DRD2 (0.52) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL7481117 0.86 DRD2 (0.46) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL7482919 0.85 DRD2 (0.53) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL7484079 0.83 NOS3 (0.53) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL7482362 0.83 NOS3 (0.62) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL7477377 0.82 NOS3 (0.63) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL7488227 0.82 NOS3 (0.53) DRD2HTR1ASLC6A4HTR7HTR6

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