SCHEMBL8871920

SCHEMBL8871920

C[C@H](O)CCN1CCC(c2onc3cc(F)ccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2A P28223 15/20 0.47
HTR7 P34969 15/20 0.47
KCNH2 Q12809 11/20 0.47
ACHE P22303 2/20 0.47

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
SCHEMBL8786866 0.86 ACHE (0.50) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8788039 0.84 SLC18A3 (0.48) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8787796 0.84 ACHE (0.48) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8506902 0.84 ACHE (0.50) DRD2SLC6A4HTR2AKCNH2ACHE
SCHEMBL8788032 0.83 DRD2 (0.47) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8788836 0.83 DRD2 (0.43) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8787553 0.83 ACHE (0.47) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8789335 0.82 ACHE (0.47) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8787897 0.82 ACHE (0.48) DRD2SLC6A4HTR2AKCNH2ACHE
SCHEMBL8789187 0.81 HTR2A (0.42) DRD2SLC6A4HTR2AHTR7KCNH2

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-5591745-A ANTIPSYCHOTICS AND ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1997-01-07 US disclosed