SCHEMBL9577659

SCHEMBL9577659

O=C1CCC2(C=Cc3ccccc3O2)C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.56
HTR2B P41595 2/20 0.56
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
SCD O00767 1/20 0.34

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
SCHEMBL3552550 0.76 HTR2C (0.72) HTR2CHTR2BADRA1DADRA1AADRA1B
SCHEMBL1115308 0.75 HTR2C (0.70) HTR2CHTR2BADRA1DADRA1AADRA1B
SCHEMBL468604 0.72 HTR2C (1.00) HTR2CHTR2BADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3226116 0.71 HTR2C (0.97) HTR2CHTR2BADRA1DADRA1AADRA1B
SCHEMBL7370885 0.70 HTR2C (0.62) HTR2CHTR2BADRA1DADRA1AADRA1B
SCHEMBL3413391 0.70 HTR2C (0.62) HTR2CHTR2BADRA1DADRA1AADRA1B
SCHEMBL1115233 0.70 HTR2C (0.40) HTR2CHTR2BADRA1DADRA1AADRA1B
SCHEMBL12481728 0.70 HTR2C (0.57) HTR2CHTR2BADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3213611 0.69 HTR2C (0.79) HTR2CHTR2BADRA1DADRA1AADRA1B
SCHEMBL3709748 0.68 HTR2C (0.55) HTR2CHTR2BADRA1DADRA1AADRA1B

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-5183924-A Anticholesterol agents, antithrombotics, fungicides LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1993-02-02 US disclosed
US-5082859-A Anticholesterol, anticoagulant, fungicide LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1992-01-21 US disclosed