SCHEMBL13891721

SCHEMBL13891721

CC(=O)N1CCN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2ccc(F)cc2)CCCO3)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
SMO Q99835 1/20 0.37
PIK3R1 P27986 1/20 0.36
MTOR P42345 1/20 0.36
P2RX3 P56373 6/20 0.35
CYP2C9 P11712 2/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 1/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL13891767 0.94 P2RX3 (0.40) HTTLMNASMN1; SMN2SMOPIK3R1
SCHEMBL29373661 0.89 TACR1 (0.44) PIK3R1MTORP2RX3
SCHEMBL6508415 0.89 TACR1 (0.44) PIK3R1MTORP2RX3
SCHEMBL13891620 0.87 TACR1 (0.43) P2RX3
SCHEMBL15680049 0.86 TACR1 (0.41) PIK3R1MTORP2RX3
SCHEMBL13891719 0.77 TACR1 (0.48)
SCHEMBL5527526 0.75 TACR1 (0.43)
SCHEMBL5230814 0.75 TACR1 (0.44) P2RX3
SCHEMBL13891686 0.74 MAPT (0.35) CYP2C9MEN1KMT2AL3MBTL1MAPT
SCHEMBL13891688 0.74 TACR1 (0.41) KMT2A

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
EP-1473295-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2009-04-01 EP disclosed