SCHEMBL9523970

SCHEMBL9523970

CC1(C)CC(c2cccc[n+]2[O-])c2cc(C(=O)c3ccccc3I)ccc2O1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.33

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
SCHEMBL9524905 0.89 DRD4 (0.33) DRD4
SCHEMBL9525763 0.87 ABCC9 (0.38) DRD4
SCHEMBL9525115 0.87 DRD4 (0.33) DRD4
SCHEMBL9524652 0.85 KDM4E (0.35) DRD4
SCHEMBL9524946 0.84 HTR1A (0.34) DRD4
SCHEMBL9525177 0.83 ALDH1A1 (0.39) DRD4
SCHEMBL9524585 0.82 ALOX5 (0.38) DRD4
SCHEMBL9627698 0.79 BRD4 (0.37)
SCHEMBL9525036 0.76 DRD4 (0.41) DRD4
SCHEMBL9523686 0.76 DRD4 (0.34) DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298452-B1 2H-1-BENZOPYRANE DERIVATIVES SUBSTITUTED IN POSITION 4 BY ARYL OR N-HETEROARYL F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP claimed
US-5118694-A Hypotensive agents; treatment for cardiovascular and muscular disorders HOFFMANN-LA ROCHE INC. (US) 1992-06-02 US disclosed
US-4971982-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, SMOOTH MUSCLE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-11-20 US disclosed