SCHEMBL8265383

SCHEMBL8265383

COc1c(C(=O)NC(c2ccccc2)C(C)(C)N2CCCC2)cccc1C(C)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
SLC6A9 P48067 7/20 0.43
USP2 O75604 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
MTTP P55157 2/20 0.37
CBLB Q13191 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KLRK1 P26718 1/20 0.36
MICA Q29983 1/20 0.36
RAET1L Q5VY80 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL3238424 0.95 CTSS (0.51) CTSSSLC6A9USP2NR1H4ALDH1A1
SCHEMBL3238677 0.82 SLC6A9 (0.62) CTSSSLC6A9
SCHEMBL3234846 0.82 SLC6A9 (0.61) CTSSSLC6A9
SCHEMBL3233194 0.82 CNR1 (0.40) USP2ALDH1A1HPGDMEN1KMT2A
SCHEMBL3240772 0.81 SLC6A9 (0.45) SLC6A9MEN1KMT2A
SCHEMBL3238330 0.80 KDM4E (0.49) ALDH1A1HPGDTP53
SCHEMBL3243539 0.80 MTTP (0.40) SLC6A9MTTPKLRK1MICARAET1L
SCHEMBL3238315 0.79 ALDH1A1 (0.41) USP2ALDH1A1HPGDMTTPMEN1
SCHEMBL3240602 0.79 SLC6A9 (0.41) SLC6A9USP2ALDH1A1HPGDMEN1
SCHEMBL8266491 0.79 SLC6A9 (0.37) SLC6A9ALDH1A1HPGDMEN1KMT2A

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-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed