SCHEMBL8093566

SCHEMBL8093566

O=C(/C=C/C(=O)OC1=NC(Cc2ccc3cccc(Cl)c3c2)CN1)OC1=NC(Cc2ccc3cccc(Cl)c3c2)CN1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.46
DAO P14920 5/20 0.33
CCR3 P51677 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8084693 0.85 SLC6A2 (0.36)
Fumaric Acid SCHEMBL8093564 0.74 ADRA2A (0.49) ADRA2A
Fumaric Acid SCHEMBL8093570 0.74 ADRA2A (0.49) ADRA2A
SCHEMBL6950882 0.70 ADRA2A (0.58) ADRA2A
SCHEMBL8085006 0.65 ADRA2A (0.43) ADRA2A
SCHEMBL8091875 0.65 ADRA2A (0.43) ADRA2A
SCHEMBL11462511 0.63 AKR1B1 (0.56) ADRA2ALMNAGAA
SCHEMBL27320935 0.62 ADRA2A (0.49) ADRA2A
SCHEMBL11478148 0.62 HPGD (0.47) ADRA2AGAASMN1; SMN2
SCHEMBL8093366 0.62 ADRA2A (0.33) ADRA2A

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-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed