SCHEMBL9844749

SCHEMBL9844749

COc1cc(C)c2c(c1)[C@H]1Cc3ccccc3[C@@]1(C(C)C)N2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAOA P21397 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
SCHEMBL9844752 1.00 HTR2A (0.34) HTR2AHTR2CHTR2BALDH1A1MAOA
SCHEMBL9844750 1.00 HTR2A (0.34) HTR2AHTR2CHTR2BALDH1A1MAOA
SCHEMBL8946539 0.82 HTR2A (0.36) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL8946537 0.82 HTR2A (0.36) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL8946545 0.82 HTR2A (0.36) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL8946673 0.81 HTR2A (0.40) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL8946679 0.81 HTR2A (0.40) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL8946672 0.81 HTR2A (0.40) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL8946661 0.73 MAOA (0.32) HTR2AHTR2CHTR2BALDH1A1MAOA
SCHEMBL8946653 0.73 MAOA (0.32) HTR2AHTR2CHTR2BALDH1A1MAOA

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-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed