SCHEMBL8304880

SCHEMBL8304880

COc1cc(N)c(Cl)cc1-c1nn(C2CCNCC2)c(=O)o1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 7/20 0.44
ACHE P22303 2/20 0.39
HTR3A P46098 1/20 0.38
NPC1 O15118 1/20 0.35
EIF2AK3 Q9NZJ5 2/20 0.35
FGFR1 P11362 2/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.35
BRD4 O60885 1/20 0.34

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
Bromide SCHEMBL8366387 0.99 HTR4 (0.43) HTR4ACHEHTR3ANPC1EIF2AK3
SCHEMBL8305104 0.88 HTR4 (0.44) HTR4
Hydrochloric Acid SCHEMBL8368070 0.87 HTR4 (0.43) HTR4
SCHEMBL7808395 0.86 HTR4 (0.45) HTR4NPC1
Bromide SCHEMBL7937589 0.85 HTR4 (0.45) HTR4NPC1
SCHEMBL7804908 0.84 HTR4 (0.48) HTR4NPC1
SCHEMBL8308838 0.82 DRD4 (0.38) HTR4SUV39H2
SCHEMBL8309549 0.81 ACHE (0.51) HTR4ACHE
SCHEMBL7750256 0.80 SUV39H2 (0.35) HTR4HTR3ASUV39H2
SCHEMBL6961630 0.79 HTR4 (0.36) HTR4ACHE

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