SCHEMBL8304833

SCHEMBL8304833

O=c1oc(-c2cc(Cl)cc3c2OCCC3)nn1C1CCN(C2Cc3ccccc3C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 8/20 0.39
CNR1 P21554 7/20 0.39
CNR2 P34972 2/20 0.37
HTR4 Q13639 6/20 0.35
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
PMP22 Q01453 1/20 0.33

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 SCHEMBL8366400 0.99 GPR55 (0.39) GPR55CNR1CNR2HTR4NOTUM
SCHEMBL8305677 0.83 HTR4 (0.43) GPR55CNR1CNR2HTR4NOTUM
SCHEMBL8304451 0.82 NOTUM (0.38) GPR55CNR1HTR4NOTUM
Hydrochloric Acid SCHEMBL8366413 0.82 HTR4 (0.43) GPR55CNR1CNR2HTR4NOTUM
Hydrochloric Acid SCHEMBL8366408 0.81 NOTUM (0.37) GPR55CNR1HTR4NOTUM
SCHEMBL7810013 0.79 NOTUM (0.36) GPR55CNR1HTR4NOTUM
Hydrochloric Acid SCHEMBL7946657 0.78 NOTUM (0.36) GPR55CNR1HTR4NOTUM
SCHEMBL8305672 0.77 DRD2 (0.44) GPR55CNR1
Hydrochloric Acid SCHEMBL8369921 0.77 DRD2 (0.45) GPR55CNR1
SCHEMBL8304573 0.76 HTR3A (0.35) GPR55CNR1

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-0863897-B1 5-PHENYL-3-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOL-2(3H)-ONE DERIVATIVES FOR USE AS 5-HT4- OR H3-RECEPTOR LIGANDS SYNTHELABO (FR) 1999-06-16 EP disclosed