SCHEMBL7311409

SCHEMBL7311409

CCCCN(CCCC)CCCOc1ccc(-c2cnc3sc4ccccc4n23)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 12/20 0.55
ATP4B P51164 12/20 0.55
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL7319232 0.83 RAB9A (0.45) ATP4AATP4B
SCHEMBL7311406 0.82 ATP4A (0.36) ATP4AATP4BDRD2DRD3
Hydrochloric Acid SCHEMBL7320191 0.75 ATP4A (0.55) ATP4AATP4BHRH3
SCHEMBL7319228 0.75 RAB9A (0.39)
SCHEMBL20876001 0.74 RAB9A (0.56)
SCHEMBL10571336 0.71 ATP4A (1.00) ATP4AATP4B
SCHEMBL7686738 0.69 ATP4A (1.00) ATP4AATP4B
SCHEMBL3691684 0.68 FDPS (0.65) ATP4AATP4B
Hydrochloric Acid SCHEMBL15412446 0.67 FDPS (0.63) ATP4AATP4B
SCHEMBL10659756 0.65 ATP4A (1.00) ATP4AATP4B

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-4880824-A CARDIOVASCULAR DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-11-14 US disclosed