SCHEMBL7317809

SCHEMBL7317809

Cc1c(-c2ccc(OCCCCl)cc2)nc2sccn12

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
NR1I3 Q14994 6/20 0.41
MAPT P10636 5/20 0.41
IDO1 P14902 2/20 0.41
GAA P10253 4/20 0.40
POLB P06746 1/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7318463 0.84 HRH3 (0.64) HRH3
Hydrochloric Acid SCHEMBL7321625 0.83 HRH3 (0.63) HRH3
SCHEMBL7317802 0.78 NR1I3 (0.40) NR1I3MAPTIDO1GAAPOLB
SCHEMBL18885045 0.76 MAPK8 (0.62) NR1I3MAPTIDO1GAAPOLB
SCHEMBL18136533 0.75 IDO1 (0.61) MAPTIDO1GAAPOLBPTGS1
SCHEMBL7318458 0.72 HRH3 (0.42) HRH3NR1I3MAPTIDO1GAA
SCHEMBL23797556 0.72 NR1I3 (0.49) NR1I3MAPTIDO1GAAPOLB
SCHEMBL22627467 0.72 NR1I3 (0.52) NR1I3
SCHEMBL7318618 0.72 SMN1; SMN2 (0.65) HRH3MAPTGAAPOLBTP53
Hydrochloric Acid SCHEMBL7321620 0.72 HRH3 (0.41) HRH3NR1I3MAPTGAAPOLB

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