SCHEMBL9979276

SCHEMBL9979276

COc1ccnc(-c2cc(OC)cc(CCn3cccn3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.49
CCR5 P51681 1/20 0.49
CCR8 P51685 1/20 0.49
LMNA P02545 1/20 0.42
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR4 P22455 2/20 0.39
FGFR3 P22607 2/20 0.39
KDR P35968 2/20 0.39
FLT3 P36888 1/20 0.39
NOS1 P29475 3/20 0.39
NOS2 P35228 3/20 0.39
NOS3 P29474 2/20 0.39
PDE4B Q07343 1/20 0.39
KDM5A P29375 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38

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
SCHEMBL197433 0.89 CCR1 (0.50) CCR1CCR5CCR8LMNAHTR1A
SCHEMBL198406 0.74 CCR1 (0.54) CCR1CCR5CCR8NOS1NOS2
SCHEMBL196913 0.73 CCR1 (0.83) CCR1CCR5CCR8HTR1ANOS1
SCHEMBL27874761 0.72 SIGMAR1 (0.57) LMNAKMT2APOLB
SCHEMBL182529 0.70 CCR1 (1.00) CCR1CCR5CCR8NOS1NOS2
SCHEMBL29395249 0.70 CCR1 (1.00) CCR1CCR5CCR8NOS1NOS2
SCHEMBL2536198 0.70 CCR1 (0.63) CCR1CCR5CCR8LMNANOS1
SCHEMBL8746042 0.68 CCR1 (0.95) CCR1CCR5CCR8NOS1NOS2
Methane SCHEMBL21386924 0.68 CCR1 (0.95) CCR1CCR5CCR8NOS1NOS2
Hydrochloric Acid SCHEMBL29903189 0.68 CCR1 (0.95) CCR1CCR5CCR8NOS1NOS2

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-8449758-B2 Small volume in vitro analyte sensor and methods of making ABBOTT DIABETES CARE INC. (US) 2013-05-28 US disclosed
US-8083924-B2 Small volume in vitro analyte sensor and methods of making ABBOTT DIABETES CARE INC. (US) 2011-12-27 US disclosed