SCHEMBL6616630

SCHEMBL6616630

COc1ccc(C)c(C2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.54
GRM7 Q14831 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CHRNA7 P36544 1/20 0.39
TSHR P16473 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
SCHEMBL14142880 0.91 GRM7 (0.44) PTGDR2GRM7NOS3NOS1NOS2
SCHEMBL3139821 0.86 PTGDR2 (0.50) PTGDR2NOS3NOS1NOS2MEN1
SCHEMBL20103281 0.81 PTGDR2 (0.52) PTGDR2NOS3NOS1NOS2MEN1
SCHEMBL4882683 0.81 PTGDR2 (0.56) PTGDR2NOS3NOS1NOS2MEN1
SCHEMBL14775521 0.80 PTGDR2 (0.46) PTGDR2MEN1KMT2AMAPT
SCHEMBL19414348 0.79 NOS3 (0.46) PTGDR2GRM7NOS3NOS1NOS2
SCHEMBL21157883 0.79 PTGDR2 (0.50) PTGDR2NOS3NOS1NOS2MEN1
SCHEMBL27339809 0.79 PTGDR2 (0.50) PTGDR2NOS3NOS1NOS2MEN1
SCHEMBL11369877 0.78 PTGDR2 (0.50) PTGDR2NOS3NOS1NOS2MEN1
SCHEMBL4608591 0.77 PTGDR2 (0.52) PTGDR2NOS3NOS1NOS2MEN1

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
EP-1418916-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Amgen Inc. (US) 2004-05-19 EP disclosed
WO-2003018022-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AMGEN INC. (US) 2003-03-06 WO disclosed