SCHEMBL7490671

SCHEMBL7490671

CCCN1CCC(c2c[nH]c3ccc(SCCCc4ccccc4)cc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
OPRK1 P41145 1/20 0.52
OPRL1 P41146 1/20 0.52
SLC6A4 P31645 2/20 0.50
DRD2 P14416 1/20 0.50
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
ADRA1D P25100 4/20 0.47
CCR2 P41597 1/20 0.44

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
Succinic Acid SCHEMBL7483217 0.79 OPRM1 (0.48) OPRM1OPRK1OPRL1DRD2HTR7
SCHEMBL7485563 0.78 HTR1D (0.57) OPRM1OPRK1OPRL1HTR1A
SCHEMBL7533736 0.77 CYP1A2 (0.62) OPRM1OPRK1OPRL1SLC6A4ADRA1D
SCHEMBL7487981 0.76 CCR2 (0.49) OPRM1OPRK1OPRL1SLC6A4DRD2
SCHEMBL7480617 0.76 CCR2 (0.61) DRD2CCR2
SCHEMBL7533678 0.76 CYP1A2 (0.61) OPRM1OPRK1OPRL1SLC6A4ADRA1D
SCHEMBL30908884 0.76 HTR1A (0.52) OPRM1OPRK1OPRL1SLC6A4DRD2
SCHEMBL7483363 0.76 HTR1A (0.52) OPRM1OPRK1OPRL1SLC6A4DRD2
Hydrochloric Acid SCHEMBL9031725 0.76 OPRM1 (0.59) OPRM1OPRK1OPRL1SLC6A4HTR1A
Hydrochloric Acid SCHEMBL9032172 0.75 ADRA1D (0.74) SLC6A4ADRA1D

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