SCHEMBL8306207

SCHEMBL8306207

O=C(O)Nc1c(Cl)cc(-c2nn(C3CCNCC3)c(=O)o2)c2c1OCCO2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 7/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
FSCN1 Q16658 1/20 0.35
CNR1 P21554 8/20 0.34
PAICS P22234 3/20 0.33
CNR2 P34972 2/20 0.32
HTR4 Q13639 2/20 0.32
NSD3 Q9BZ95 1/20 0.32
NR3C1 P04150 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
PTGER1 P34995 1/20 0.31

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
SCHEMBL6956244 0.94 FSCN1 (0.33) GPR55CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8307581 0.88 GPR55 (0.38) GPR55CNR1CNR2HTR4
SCHEMBL7799605 0.87 GPR55 (0.34) GPR55CNR1HTR4
SCHEMBL8365008 0.85 SMN1; SMN2 (0.39) GPR55CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8308257 0.84 NR3C1 (0.39) GPR55CNR1CNR2HTR4NR3C1
SCHEMBL8309066 0.83 HTR4 (0.46) GPR55CYP3A4CYP2D6CYP2C9HTR4
SCHEMBL8307419 0.82 HTR4 (0.36) GPR55CNR1HTR4
SCHEMBL8308109 0.82 HTR4 (0.48) HTR4
Bromide SCHEMBL8369628 0.81 HTR4 (0.47) HTR4
SCHEMBL7749150 0.81 MDM2 (0.37) GPR55CNR1CNR2HTR4NR3C1

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