SCHEMBL8303784

SCHEMBL8303784

CC(C)(C)OC(=O)N1CCC(n2nc(-c3cc(Cl)cc4c3OCC4)oc2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.39
GPR119 Q8TDV5 5/20 0.39
STS P08842 2/20 0.38
GPR55 Q9Y2T6 2/20 0.38
CNR1 P21554 1/20 0.38
HTR4 Q13639 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R2 O00459 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PIK3R5 Q8WYR1 1/20 0.37
PIK3R3 Q92569 1/20 0.37
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8304573 0.80 HTR3A (0.35) GPR55CNR1
SCHEMBL8308257 0.80 NR3C1 (0.39) NR3C1GPR119GPR55CNR1HTR4
SCHEMBL6962731 0.76 MDM2 (0.37) NR3C1GPR55CNR1HTR4PIK3CD
SCHEMBL7749150 0.76 MDM2 (0.37) NR3C1GPR55CNR1HTR4PIK3CD
SCHEMBL7808385 0.75 HTR3A (0.34) GPR55
Hydrochloric Acid SCHEMBL7945320 0.74 HTR3A (0.34) GPR55
Hydrochloric Acid SCHEMBL8366408 0.74 NOTUM (0.37) GPR55CNR1HTR4
SCHEMBL8304833 0.74 GPR55 (0.39) GPR55CNR1HTR4
Hydrochloric Acid SCHEMBL8369921 0.73 DRD2 (0.45) GPR55CNR1
Hydrochloric Acid SCHEMBL8366400 0.73 GPR55 (0.39) GPR55CNR1HTR4

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
US-5929089-A ANTISEROTONINE AGENT SYNTHELABO (FR) 1999-07-27 US disclosed
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