SCHEMBL8978094

SCHEMBL8978094

COc1ccc(-c2oc3cc(OC)ccc3c2C(=O)c2ccc(OCCN(C(C)C)C(C)C)cc2)cc1.COc1ccc(-c2oc3cc(OC)ccc3c2C(=O)c2ccc(OCCN(C)C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.60
CNR2 P34972 7/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
ALOX15 P16050 1/20 0.60
CASP1 P29466 1/20 0.60
CASP7 P55210 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
BCHE P06276 9/20 0.58
L3MBTL1 Q9Y468 1/20 0.52
ESR1 P03372 1/20 0.47
APP P05067 1/20 0.47
ACHE P22303 3/20 0.46
SLC2A1 P11166 1/20 0.46

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
SCHEMBL4651843 0.96 CNR2 (0.64) CNR1CNR2CYP3A4MAPTALOX15
SCHEMBL4653103 0.93 CNR1 (0.67) CNR1CNR2CYP3A4MAPTALOX15
SCHEMBL4650719 0.85 ESR1 (0.51) CNR1CNR2CYP3A4MAPTALOX15
Hydrochloric Acid SCHEMBL7936198 0.84 ESR1 (0.50) CNR1CNR2CYP3A4MAPTALOX15
SCHEMBL4651950 0.84 CNR2 (0.65) CNR1CNR2CYP3A4MAPTALOX15
SCHEMBL4651826 0.82 ESR1 (0.60) CNR1CNR2CYP3A4MAPTALOX15
SCHEMBL720445 0.81 SLC2A1 (0.63) CNR1CNR2CYP3A4MAPTALOX15
SCHEMBL6746977 0.81 CNR2 (0.82) CNR1CNR2CYP3A4MAPTALOX15
SCHEMBL7640834 0.80 CNR2 (0.74) CNR1CNR2CYP3A4MAPTALOX15
SCHEMBL6751759 0.77 CYP3A4 (0.43) CNR1CNR2CYP3A4MAPTALOX15

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
EP-0707852-A2 Bicyclic bradykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-04-24 EP claimed