SCHEMBL11024019

SCHEMBL11024019

O=c1[nH]c2cc(F)ccc2n1C1CCN(CC2COc3ccc(Cl)cc3O2)CC1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
PLD2 O14939 4/20 0.53
PLD1 Q13393 4/20 0.53
DRD2 P14416 3/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
HTR2A P28223 1/20 0.52
SLC6A4 P31645 1/20 0.52
DRD3 P35462 1/20 0.52
CHRM1 P11229 2/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL11024054 0.96 DRD2 (0.55) OPRM1PLD2PLD1DRD2HTR1A
SCHEMBL11027089 0.94 CHRM1 (0.55) OPRM1PLD2PLD1DRD2HTR1A
SCHEMBL11025222 0.94 HTR1A (0.59) OPRM1PLD1DRD2HTR1AADRA2A
SCHEMBL11024057 0.93 DRD2 (0.55) OPRM1PLD2PLD1DRD2HTR1A
SCHEMBL11097925 0.91 OPRM1 (0.52) OPRM1PLD2PLD1DRD2HTR1A
SCHEMBL11029089 0.91 OPRM1 (0.58) OPRM1PLD2PLD1DRD2DRD3
SCHEMBL11024114 0.90 OPRM1 (0.54) OPRM1PLD2PLD1DRD2HTR1A
SCHEMBL11099809 0.90 HTR1A (0.55) OPRM1PLD2PLD1DRD2HTR1A
SCHEMBL11024243 0.89 DRD2 (0.61) OPRM1DRD2HTR1AHTR2ADRD3
SCHEMBL11099144 0.89 OPRM1 (0.53) OPRM1

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
EP-0068261-B1 N-OXACYCLYL-ALKYLPIPERIDINE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1985-04-03 EP disclosed
US-4470989-A Neuroleptic n-oxacyclyl-alkylpiperidine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-11 US disclosed