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SCHEMBL9705660

SCHEMBL9705660

O=C(NC1CC2CC3CC(C1)N2CC3O)c1cc(Cl)cc2c1O[C@H]1CCCC[C@H]21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 5/20 0.34
▸ KMT2A Q03164 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL9705653 1.00 HTR3A (0.34) HTR3AKMT2AHTR2ASLC6A4HRH1
SCHEMBL9705630 1.00 HTR3A (0.34) HTR3AKMT2AHTR2ASLC6A4HRH1
SCHEMBL9706213 0.85 HTR3A (0.33) HTR3AKMT2AHTR2ASLC6A4HRH1
SCHEMBL8318689 0.83 HTR3A (0.34) HTR3A
SCHEMBL8318685 0.83 HTR3A (0.34) HTR3A
SCHEMBL8318695 0.83 HTR3A (0.34) HTR3A
SCHEMBL7399679 0.76 HTR3A (0.59) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7395820 0.76 HTR3A (0.59) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7399135 0.76 HTR3A (0.59) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7397225 0.76 HTR3A (0.59) HTR3AHTR2ASLC6A4HRH1PDE4D

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
EP-0518767-A2 Derivatives of amide analogs of certain methano bridged quinolizines MERRELL PHARMACEUTICALS INC. (US) 1992-12-16 — — EP claimed