SCHEMBL8265337

SCHEMBL8265337

Bc1cc(C(=O)NC(c2ccccc2)C(C)(C)N2CCCC2)c(OC)cc1CC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
HPGD P15428 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MTTP P55157 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNK3 O14649 3/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL3239516 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTOPRK1DRD2
SCHEMBL3235882 0.89 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTOPRM1OPRD1
SCHEMBL8265566 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTOPRD1OPRK1
SCHEMBL3241301 0.81 MEN1 (0.42) ALDH1A1KDM4EMAPTHPGDMTTP
SCHEMBL3244243 0.81 MEN1 (0.49) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL3238315 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHPGDMTTP
SCHEMBL3235817 0.79 TAS1R3 (0.41) ALDH1A1KDM4EMAPTHPGDMTTP
SCHEMBL3238418 0.78 MEN1 (0.45) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL3239591 0.78 KMT2A (0.47) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL3233194 0.77 CNR1 (0.40) ALDH1A1KDM4EMAPTHPGDMEN1

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