SCHEMBL193030

SCHEMBL193030

Fc1ccc(-c2nnc(C3CCCN(c4ccc(F)cc4)C3)[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
DEGS1 O15121 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CNR2 P34972 1/20 0.35
CHEK2 O96017 1/20 0.35
PRKDC P78527 2/20 0.35
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
MAPK13 O15264 1/20 0.34
RAF1 P04049 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK12 P53778 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 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
SCHEMBL193583 0.79 GRM5 (0.57) NPC1RAB9AMAPTTSHRPOLB
SCHEMBL19428036 0.78 PTGS1 (0.49) ALDH1A1MAPK11MAPK14MAPK13RAF1
SCHEMBL17073562 0.73 MAPK11 (0.51) MAPK11MAPK14MAPK13RAF1MAPK9
SCHEMBL14153227 0.68 TAAR1 (0.42) MAPK11MAPK14MAPK13RAF1MAPK9
SCHEMBL14061720 0.66 NPC1 (0.41) ALDH1A1MAPK11MAPK14MAPK13RAF1
SCHEMBL15383528 0.66 KDM4E (0.57) NOTUMDEGS1ALDH1A1PRKDCNPC1
SCHEMBL31145170 0.66 KDM4E (0.57) NOTUMDEGS1ALDH1A1PRKDCNPC1
SCHEMBL16544563 0.66 NOTUM (0.49) NOTUMDEGS1ALDH1A1NPC1RAB9A
SCHEMBL22581822 0.66 NOTUM (0.49) NOTUMDEGS1ALDH1A1NPC1RAB9A
SCHEMBL18845580 0.66 ADORA1 (0.46) RAF1NPC1RAB9APOLB

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-2030970-B1 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2012-01-04 EP disclosed