SCHEMBL8314830

SCHEMBL8314830

ICCCCC1(c2ccccc2)COCc2ccccc21

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.30

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
SCHEMBL8315042 0.96 SLC6A4 (0.31) SLC6A4
SCHEMBL8310417 0.90 HDAC9 (0.30)
SCHEMBL8311348 0.86 OPRM1 (0.33) SLC6A4
SCHEMBL8316222 0.85 SLC6A4 (0.36) SLC6A4
SCHEMBL8310700 0.84 TSHR (0.32) SLC6A4
SCHEMBL8312613 0.81 HDAC9 (0.33)
Hydrochloric Acid SCHEMBL8317259 0.79 HTR7 (0.39)
Hydrochloric Acid SCHEMBL8313713 0.79 ALDH1A1 (0.39)
Hydrochloric Acid SCHEMBL8315168 0.77 GRIN2B (0.43)
Hydrochloric Acid SCHEMBL8316672 0.77 MAOA (0.41)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679642-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-11-10 EP disclosed
US-5654296-A HORMONE INHIBITOR; NERVOUS SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-05 US disclosed
US-5607939-A CALCIUM ANTAGONIST, GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONIST AND MONOAMINEU UPTAKE INHIBITORS FOR CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-04 US disclosed
EP-0679642-A1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-02 EP disclosed