SCHEMBL456356

SCHEMBL456356

O=C(CC1CCCN1)c1nccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
KHK P50053 1/20 0.41
CNR2 P34972 4/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
KCNH2 Q12809 2/20 0.39
RPLP1 P05386 1/20 0.38
RPLP0 P05388 1/20 0.38
RPS17 P08708 1/20 0.38
RPSA P08865 1/20 0.38
RPS2 P15880 1/20 0.38
RPL35A P18077 1/20 0.38
RPL7 P18124 1/20 0.38
RPL17 P18621 1/20 0.38
RPS4Y1 P22090 1/20 0.38
RPS3 P23396 1/20 0.38
RPS12 P25398 1/20 0.38
RPL13 P26373 1/20 0.38
RPL10 P27635 1/20 0.38
RPL12 P30050 1/20 0.38
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 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
SCHEMBL457515 0.84 CHRNB2 (0.41) KHKCNR2IRAK4
SCHEMBL11816064 0.76 KHK (0.52) KHK
SCHEMBL25180306 0.75 SSTR4 (0.54) KHKIRAK4
SCHEMBL25184261 0.75 SSTR4 (0.54) KHKIRAK4
SCHEMBL23886119 0.75 SSTR4 (0.54) KHKIRAK4
SCHEMBL30165964 0.75 SSTR4 (0.54) KHKIRAK4
SCHEMBL456355 0.75 RAB9A (0.41) RAB9ACNR2KCNH2RPLP1RPLP0
Hydrochloric Acid SCHEMBL23886402 0.74 SSTR4 (0.53) KHKIRAK4
Hydrochloric Acid SCHEMBL25264454 0.74 SSTR4 (0.53) KHKIRAK4
Hydrochloric Acid SCHEMBL23886253 0.74 SSTR4 (0.53) KHKIRAK4

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-2613630-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Cempra Pharmaceuticals, Inc. (US) 2013-07-17 EP disclosed
WO-2012034058-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2012-03-15 WO disclosed