SCHEMBL20005179

SCHEMBL20005179

COC1(C)Cc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPIB P23284 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL18091472 0.77 PPIB (0.34) POLBL3MBTL1PPIB
SCHEMBL27710352 0.76 ADRA2A (0.37) SIGMAR1
SCHEMBL8707641 0.73 HTR1A (0.40) HTR2A
SCHEMBL27725698 0.72 POLB (0.40) POLBL3MBTL1
SCHEMBL18256195 0.70 PPIB (0.31) HTR2APPIB
SCHEMBL18403871 0.70 MEN1 (0.40) HTR2A
SCHEMBL13291856 0.70 HTR2A (0.35) HTR2APOLBL3MBTL1
SCHEMBL25490557 0.69 ELANE (0.40) POLBL3MBTL1
SCHEMBL20787299 0.69 HTR2A (0.37) HTR2A
SCHEMBL9418962 0.69 HTR2A (0.37) HTR2A

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-3299357-A1 CRYSTAL OF SALT OF NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2018-03-28 EP disclosed