SCHEMBL7809897

SCHEMBL7809897

CN1CC=C(c2c[nH]c3ccc(CC[N+](=O)[O-])cc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.69

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
SCHEMBL4541937 0.83 SLC6A4 (0.61) SLC6A4
SCHEMBL428829 0.81 SLC6A4 (1.00) SLC6A4
SCHEMBL3379399 0.81 SLC6A4 (0.71) SLC6A4
Hydrochloric Acid SCHEMBL9772910 0.80 SLC6A4 (0.59) SLC6A4
SCHEMBL9772971 0.80 SLC6A4 (0.59) SLC6A4
SCHEMBL15292058 0.80 SLC6A4 (0.60) SLC6A4
SCHEMBL1275552 0.80 SLC6A4 (0.59) SLC6A4
SCHEMBL7201332 0.79 SLC6A4 (0.71) SLC6A4
SCHEMBL14161672 0.78 SLC6A4 (0.60) SLC6A4
SCHEMBL14207392 0.77 SLC6A4 (0.56) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636623-B1 Indole derivatives as 5-HT1- like agonists ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
US-5863935-A SYNTHESIS OF INDOLE DERIVATIVES OF HETEROCYCLIC COMPOUNDS FOR TREATMENT OF HEADACHES AND MIGRAINES ZENECA LIMITED (GB) 1999-01-26 US disclosed
US-5466699-A Indolyl compounds for treating migraine BURROUGHS WELLCOME CO. (US) 1995-11-14 US disclosed
US-5399574-A 5-hydroxytryptamine agonists; vasoconstrictors BURROUGHS WELLCOME CO. (US) 1995-03-21 US disclosed
EP-0636623-A1 Indole derivatives as 5-HT1- like agonists THE WELLCOME FOUNDATION LIMITED (GB) 1995-02-01 EP disclosed
EP-0486666-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS. WELLCOME FOUND (GB) 1992-05-27 EP disclosed
WO-1991018897-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-12 WO disclosed