SCHEMBL8655904

SCHEMBL8655904

NCC1CCn2c(cc3ccccc32)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCE Q02156 3/20 0.51
MYLK Q15746 3/20 0.51
HTR2A P28223 5/20 0.45
HTR2C P28335 5/20 0.45
SIGMAR1 Q99720 5/20 0.42
HTR1A P08908 1/20 0.37
CXCR4 P61073 1/20 0.37
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKD1 Q15139 1/20 0.36
PIM1 P11309 1/20 0.36
DKK1 O94907 1/20 0.36

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
SCHEMBL8324461 0.85 HTR2A (0.48) PRKCEMYLKHTR2AHTR2CSIGMAR1
SCHEMBL8318760 0.85 HTR2A (0.48) PRKCEMYLKHTR2AHTR2CSIGMAR1
SCHEMBL1991214 0.85 HTR2A (0.48) PRKCEMYLKHTR2AHTR2CSIGMAR1
SCHEMBL1993818 0.81 HTR2A (0.45) PRKCEMYLKHTR2AHTR2CSIGMAR1
SCHEMBL8451898 0.81 HTR2A (0.42) PRKCEMYLKHTR2AHTR2CSIGMAR1
SCHEMBL8451901 0.81 HTR2A (0.42) PRKCEMYLKHTR2AHTR2CSIGMAR1
SCHEMBL8449854 0.80 SIGMAR1 (0.49) PRKCEMYLKHTR2AHTR2CSIGMAR1
SCHEMBL8657682 0.77 HTR2A (0.46) HTR2AHTR2CSIGMAR1
SCHEMBL8448934 0.76 HTR2A (0.40) PRKCEMYLKHTR2AHTR2CSIGMAR1
SCHEMBL6015848 0.76 SIGMAR1 (0.44) PRKCEMYLKHTR2AHTR2CSIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5721245-A ANTIINFLAMMATORY AGENTS, RESPIRATORY SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-02-24 US disclosed
EP-0384349-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1994-04-27 EP disclosed
EP-0384349-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1990-08-29 EP disclosed