SCHEMBL14028656

SCHEMBL14028656

CC1CCC2(CC1)CC(COCc1ccccc1)=NO2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 1/20 0.36
HRH4 Q9H3N8 4/20 0.33
HRH3 Q9Y5N1 4/20 0.33
OPRM1 P35372 3/20 0.33
OPRL1 P41146 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ACHE P22303 1/20 0.33
POLB P06746 1/20 0.33
OPRD1 P41143 1/20 0.32

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
SCHEMBL13503810 0.86 TSHR (0.36) TSHRSIGMAR1OPRM1OPRL1TAAR1
SCHEMBL14174172 0.84 SORT1 (0.38) TSHRSIGMAR1ACHE
SCHEMBL14028657 0.83 ACHE (0.40) TSHRSIGMAR1OPRM1ACHE
SCHEMBL14028658 0.81 SIGMAR1 (0.41) SIGMAR1ACHE
SCHEMBL25399422 0.68 TSHR (0.40) TSHR
SCHEMBL25400656 0.67 ADAM17 (0.38) TSHR
SCHEMBL21034771 0.66 TACR1 (0.41) TSHROPRM1OPRL1ACHEPOLB
Propylene Oxide SCHEMBL335357 0.65 TSHR (0.62) TSHRTAAR1POLB
Propylene Oxide SCHEMBL335355 0.65 TSHR (0.62) TSHRTAAR1POLB
SCHEMBL19839312 0.65 HTR2C (0.44) TSHRPOLB

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-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed