SCHEMBL7318463

SCHEMBL7318463

CCCCN(CCCC)CCCOc1ccc(-c2nc3sccn3c2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.64
ATP4A P20648 7/20 0.57
ATP4B P51164 7/20 0.57

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
Hydrochloric Acid SCHEMBL7321625 0.99 HRH3 (0.63) HRH3ATP4AATP4B
SCHEMBL7317809 0.84 HRH3 (0.43) HRH3
SCHEMBL7318458 0.80 HRH3 (0.42) HRH3ATP4AATP4B
Hydrochloric Acid SCHEMBL7321620 0.79 HRH3 (0.41) HRH3ATP4AATP4B
SCHEMBL7674373 0.79 HRH3 (0.72) HRH3ATP4AATP4B
SCHEMBL10569539 0.78 HRH3 (0.66) HRH3ATP4AATP4B
SCHEMBL7677826 0.78 HRH3 (1.00) HRH3ATP4AATP4B
SCHEMBL7319653 0.77 HRH3 (0.66) HRH3ATP4AATP4B
SCHEMBL10569147 0.77 HRH3 (0.81) HRH3ATP4AATP4B
Hydrochloric Acid SCHEMBL7307734 0.76 HRH3 (0.65) HRH3ATP4AATP4B

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

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