SCHEMBL9989667

SCHEMBL9989667

CC(CCc1ccccc1)(C(N)=O)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
SSTR4 P31391 1/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TMEM97 Q5BJF2 3/20 0.39
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
HTR2C P28335 1/20 0.38
OPRD1 P41143 1/20 0.37
HTR6 P50406 1/20 0.37
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
REN P00797 1/20 0.36

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
SCHEMBL9990034 0.77 SIGMAR1 (0.36) SIGMAR1
SCHEMBL9989678 0.74 KMT2A (0.43) KMT2ASIGMAR1SLC6A4OPRD1HTR6
SCHEMBL9989672 0.74 KMT2A (0.43) KMT2ASIGMAR1SLC6A4SLC6A2OPRD1
SCHEMBL665673 0.74 SIGMAR1 (0.36) SIGMAR1
SCHEMBL6803588 0.73 HDAC3 (0.50) KMT2ASSTR4SLC6A3GRM2GRM3
SCHEMBL4558755 0.73 SIGMAR1 (0.45) KMT2ASIGMAR1SLC6A4SLC6A2OPRD1
SCHEMBL4899599 0.72 CHRM3 (0.40) KMT2ASIGMAR1OPRD1
SCHEMBL9190217 0.71 GRM2 (0.46) KMT2ASSTR4SLC6A2SLC6A3GRM2
SCHEMBL5320849 0.71 MAPT (0.46) KMT2ASSTR4SLC6A2SLC6A3GRM2
SCHEMBL27957913 0.71 AR (0.47) KMT2ASSTR4SLC6A3GRM2GRM3

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
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO claimed