SCHEMBL26850302

SCHEMBL26850302

C[SH](C)CCCCc1cn(CCOCCOCCOCCC(C)(C)C)nn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.44
ABCC1 P33527 12/20 0.38
ABCG2 Q9UNQ0 12/20 0.38
ABCB1 P08183 11/20 0.38
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL22334356 0.89 DRD2 (0.47) DRD2ABCC1ABCG2ABCB1DRD4
SCHEMBL25500829 0.85 DRD2 (0.49) DRD2HRH4HRH3
SCHEMBL25494738 0.85 DRD2 (0.42) DRD2ABCC1ABCG2ABCB1DRD4
SCHEMBL25494740 0.85 DRD2 (0.42) DRD2ABCC1ABCG2ABCB1DRD4
SCHEMBL25494745 0.85 DRD2 (0.42) DRD2ABCC1ABCG2ABCB1DRD4
SCHEMBL25974512 0.83 DRD2 (0.44) DRD2ABCC1ABCG2ABCB1DRD4
SCHEMBL25494737 0.83 DRD2 (0.41) DRD2ABCC1ABCG2ABCB1DRD4
SCHEMBL25978158 0.83 DRD2 (0.42) DRD2ABCC1ABCG2ABCB1HRH3
SCHEMBL24334739 0.80 DRD2 (0.40) DRD2ABCC1ABCG2ABCB1DRD4
SCHEMBL27410882 0.80 DRD2 (0.40) DRD2ABCC1ABCG2ABCB1DRD4

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-20230366885-A1 DNA CONSTRUCTS, RECOMBINANT CELLS COMPRISING THEREOF, BACTERIAL PROBES, METHODS FOR THEIR PREPARATION, AND METHOD OF USING THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-11-16 US disclosed