SCHEMBL8307581

SCHEMBL8307581

CN1CCC(n2nc(-c3cc(Cl)c(NC(=O)O)c4c3OCCO4)oc2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 9/20 0.38
CNR1 P21554 10/20 0.37
CNR2 P34972 2/20 0.37
HTR4 Q13639 6/20 0.35

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
SCHEMBL8309066 0.89 HTR4 (0.46) GPR55HTR4
SCHEMBL8306207 0.88 GPR55 (0.35) GPR55CNR1CNR2HTR4
SCHEMBL8308257 0.86 NR3C1 (0.39) GPR55CNR1CNR2HTR4
SCHEMBL6956244 0.84 FSCN1 (0.33) GPR55CNR1HTR4
SCHEMBL7799605 0.84 GPR55 (0.34) GPR55CNR1HTR4
SCHEMBL7749150 0.83 MDM2 (0.37) GPR55CNR1CNR2HTR4
SCHEMBL7799596 0.83 HTR4 (0.36) GPR55HTR4
SCHEMBL8303718 0.82 HTR4 (0.52) HTR4
Bromide SCHEMBL8369649 0.82 HTR4 (0.51) HTR4
SCHEMBL7810023 0.80 CHRNA7 (0.38) 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 2 patents. 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
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed