SCHEMBL8997714

SCHEMBL8997714

C=CCC1CC2(Cc3ccc(OC)nc31)OCCO2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL8997671 0.82 HTR2C (0.33) HTR2CMTNR1AMTNR1BPARP1
SCHEMBL8997659 0.68
SCHEMBL13649226 0.66 DRD2 (0.39) HTR2CMTNR1AMTNR1B
SCHEMBL23376911 0.61 HTR2C (0.46) HTR2CMTNR1AMTNR1B
SCHEMBL23376882 0.59 DRD2 (0.42) HTR2CMTNR1AMTNR1B
SCHEMBL26675962 0.58
Hydrochloric Acid SCHEMBL32670239 0.57 HTR6 (0.39) HTR2CMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL27094583 0.57 HTR6 (0.39) HTR2CMTNR1AMTNR1B
SCHEMBL4011454 0.57 HTR2C (0.47) HTR2CMTNR1AMTNR1B
SCHEMBL25707311 0.56 HTR2A (0.35) HTR2C

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
US-5547960-A ACETYLCHOLINESTERASE INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1996-08-20 US disclosed