SCHEMBL8717666

SCHEMBL8717666

CC(OC1CCC(C)(C)CC1c1ncn(C)n1)c1ccc2ccccc2c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.32
IDH1 O75874 3/20 0.31
P2RX3 P56373 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL8714349 0.82 HSD11B1 (0.35) HSD11B1IDH1ADRA2AADRA2BADRA2C
SCHEMBL8719427 0.73 UGT2B7 (0.38) HSD11B1
SCHEMBL8717846 0.73 ALOX5AP (0.37)
SCHEMBL9246183 0.72 CYP19A1 (0.38) HSD11B1
SCHEMBL8714480 0.72 SLC18A2 (0.35)
SCHEMBL9244481 0.72 REN (0.37) HSD11B1ADRA2AADRA2BADRA2C
SCHEMBL9250623 0.65 SLC6A3 (0.40) HSD11B1
SCHEMBL9249054 0.64 POLB (0.35)
SCHEMBL8715153 0.64 SLC6A2 (0.43) HSD11B1IDH1ADRA2AADRA2BADRA2C
SCHEMBL8714354 0.60 HRH3 (0.36)

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-5719291-A FUNGICIDE HOFFMANN-LA ROCHE INC. (US) 1998-02-17 US disclosed