SCHEMBL7486016

SCHEMBL7486016

CCC(C)N1CC=C(c2c[nH]c3ccc(NC(=O)Nc4ccc(I)cc4I)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
MAPT P10636 4/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7485611 0.90 NOS3 (0.47) NOS3NOS1MAPTTP53LMNA
SCHEMBL7489617 0.88 NOS3 (0.46) NOS3NOS1MAPTTP53LMNA
SCHEMBL7490257 0.84 NOS3 (0.49) NOS3NOS1MAPTTP53LMNA
SCHEMBL7484932 0.81 NOS3 (0.43) NOS3NOS1MAPTTP53LMNA
SCHEMBL7540088 0.80 HTR1D (0.52)
SCHEMBL7483337 0.80 NOS3 (0.62) NOS3NOS1MAPTTP53LMNA
SCHEMBL7475902 0.78 NOS3 (0.52) NOS3NOS1
SCHEMBL7481249 0.78 NOS3 (0.53) NOS3NOS1MAPTTP53LMNA
SCHEMBL7485362 0.78 NOS3 (0.46) NOS3NOS1MAPTTP53LMNA
SCHEMBL7483001 0.77 HTR1A (0.49) NOS3NOS1MAPTTP53LMNA

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