SCHEMBL7318458

SCHEMBL7318458

CCCCN(CCCC)C(CC)Oc1ccc(-c2nc3sccn3c2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
MAPT P10636 5/20 0.37
NR1I3 Q14994 5/20 0.36
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
GAA P10253 4/20 0.34
POLB P06746 1/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
IDO1 P14902 1/20 0.34
TP53 P04637 1/20 0.34

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 SCHEMBL7321620 0.99 HRH3 (0.41) HRH3MAPTNR1I3ATP4AATP4B
SCHEMBL7674368 0.80 NPC1 (0.49) HRH3MAPT
SCHEMBL7318463 0.80 HRH3 (0.64) HRH3ATP4AATP4B
SCHEMBL7677823 0.80 HRH3 (0.67) HRH3MAPTGAAPOLBTP53
SCHEMBL10569536 0.80 HRH3 (0.42) HRH3MAPTGAAPOLB
SCHEMBL7317802 0.79 NR1I3 (0.40) MAPTNR1I3GAAPOLBPTGS1
SCHEMBL7319647 0.78 SMN1; SMN2 (0.56) HRH3MAPTPOLBTP53
SCHEMBL10569141 0.78 HRH3 (0.54) HRH3
Hydrochloric Acid SCHEMBL7307729 0.78 NPC1 (0.55) HRH3MAPTPOLBTP53
SCHEMBL10569049 0.77 HRH3 (0.42) HRH3MAPTGAA

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