SCHEMBL5579325

SCHEMBL5579325

CC(C)n1ncc2c1NCCSC2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.33
DRD2 P14416 1/20 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
SCHEMBL18237385 0.76 DRD4 (0.41) DRD4DRD2
SCHEMBL18237955 0.72 DRD4 (0.38) DRD4DRD2
SCHEMBL18238055 0.69 DRD4 (0.38) DRD4DRD2
SCHEMBL18237469 0.65 ALDH1A1 (0.33)
SCHEMBL19131073 0.61 DRD4 (0.35) DRD4DRD2
SCHEMBL18237427 0.60 DRD4 (0.43) DRD4DRD2
SCHEMBL18237954 0.60 DRD4 (0.46) DRD4DRD2
SCHEMBL18237632 0.59 DRD4 (0.35) DRD4DRD2
SCHEMBL15344053 0.59 DRD4 (0.38) DRD4DRD2
SCHEMBL1754908 0.59 DRD4 (0.35) DRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US disclosed