SCHEMBL11039666

SCHEMBL11039666

Cc1cccc2c1OCC(CN1CCC(n3c(=O)[nH]c4cc(F)ccc43)CC1)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.57
DRD2 P14416 3/20 0.53
KCNH2 Q12809 1/20 0.53
OPRM1 P35372 1/20 0.51
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
PLD2 O14939 2/20 0.48
PLD1 Q13393 2/20 0.48

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
SCHEMBL11026528 0.91 OPRM1 (0.53) CHRM1DRD2OPRM1HTR1AHTR2A
SCHEMBL11026849 0.90 CHRM1 (0.57) CHRM1DRD2OPRM1HTR1AHTR2A
SCHEMBL11102874 0.89 HTR1A (0.48) CHRM1DRD2OPRM1HTR1AHTR2A
SCHEMBL11101393 0.88 DRD2 (0.59) CHRM1DRD2OPRM1HTR1AHTR2A
SCHEMBL11024243 0.88 DRD2 (0.61) CHRM1DRD2KCNH2OPRM1HTR1A
SCHEMBL11027258 0.88 OPRM1 (0.54) CHRM1DRD2OPRM1HTR1AHTR2A
SCHEMBL11024716 0.88 CHRM1 (0.58) CHRM1DRD2KCNH2OPRM1HTR1A
SCHEMBL11024114 0.86 OPRM1 (0.54) CHRM1DRD2KCNH2OPRM1HTR1A
SCHEMBL11027089 0.86 CHRM1 (0.55) CHRM1DRD2KCNH2OPRM1HTR1A
SCHEMBL11023574 0.85 CHRM1 (0.54) CHRM1DRD2KCNH2OPRM1HTR1A

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 3 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
EP-0068261-A1 N-oxacyclyl-alkylpiperidine derivatives, their preparation, pharmaceutical preparations containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 EP disclosed