SCHEMBL11096540

SCHEMBL11096540

O=c1[nH]c2cccc(Cl)c2n1C1CCN(CC2COc3ccccc3O2)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.61
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 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
SCHEMBL11098400 0.89 OPRM1 (0.53) OPRM1ADRA1DADRA1AADRA1B
SCHEMBL11097092 0.89 OPRM1 (0.53) OPRM1ADRA1DADRA1AADRA1B
SCHEMBL11100662 0.89 OPRM1 (0.53) OPRM1ADRA1DADRA1AADRA1B
SCHEMBL9943304 0.85 DRD2 (0.61) OPRM1
SCHEMBL11096216 0.85 OPRM1 (0.57) OPRM1
Hydrochloric Acid SCHEMBL11096032 0.84 DRD2 (0.61) OPRM1
SCHEMBL11098879 0.83 OPRM1 (0.58) OPRM1ADRA1DADRA1AADRA1B
Axamozide SCHEMBL11022863 0.82 OPRM1 (0.60) OPRM1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL11100748 0.82 OPRM1 (0.60) OPRM1ADRA1DADRA1AADRA1B
Axamozide SCHEMBL11027857 0.81 OPRM1 (0.59) OPRM1ADRA2AADRA2BADRA2CADRA1D

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-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