SCHEMBL8664537

SCHEMBL8664537

O=C1NC(=O)c2c(CCCCN3CCC(c4noc5cc(F)ccc45)CC3)cccc21

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.57
HTR2A P28223 1/20 0.57
ACHE P22303 2/20 0.56
HTR6 P50406 1/20 0.56
SLC6A4 P31645 1/20 0.55

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
SCHEMBL8469854 0.97 ACHE (0.57) DRD2HTR2AACHESLC6A4
SCHEMBL1545276 0.94 ACHE (0.59) DRD2HTR2AACHESLC6A4
SCHEMBL7744954 0.84 DRD2 (0.52) DRD2HTR2AACHESLC6A4
SCHEMBL1545853 0.83 ACHE (0.60) DRD2HTR2AACHEHTR6SLC6A4
Hydrochloric Acid SCHEMBL8627510 0.82 ACHE (0.56) DRD2HTR2AACHESLC6A4
SCHEMBL791048 0.80 DRD2 (0.70) DRD2HTR2AACHEHTR6SLC6A4
SCHEMBL8788161 0.79 DRD2 (0.40) DRD2HTR2AACHEHTR6SLC6A4
SCHEMBL21848653 0.79 DRD2 (0.53) DRD2HTR2AHTR6
Hydrochloric Acid SCHEMBL9596033 0.79 DRD2 (0.69) DRD2HTR2AACHEHTR6SLC6A4
SCHEMBL21848641 0.79 DRD2 (0.53) DRD2HTR2AHTR6

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
US-5811435-A 2- (4-heteroaryl-1-piperidinyl)alkyl!-1,3-dioxanes and related compounds and their therapeutic utility HOECHST MARION RUSSEL, INC. 1998-09-22 US disclosed