SCHEMBL5038451

SCHEMBL5038451

CN(C)c1ccc(C2=CC[N]CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 6/20 0.41
TSHR P16473 3/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PSMB5 P28074 1/20 0.35
APP P05067 4/20 0.35
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TP53 P04637 2/20 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
SCHEMBL3545796 0.82 NOTUM (0.41) MAPTSMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL5585114 0.79 NISCH (0.37) MAPTSMN1; SMN2ALDH1A1HSD17B10NPC1
SCHEMBL2253193 0.76 MAPK14 (0.38) MAPTSMN1; SMN2MAPK1ALDH1A1ALOX15
SCHEMBL3126530 0.75 SIGMAR1 (0.46) SMN1; SMN2TSHRHSD17B10NPC1RAB9A
SCHEMBL9360528 0.74 KIF11 (0.42) SMN1; SMN2ALDH1A1TSHRNPC1RAB9A
SCHEMBL5584331 0.74 NISCH (0.42) MAPTSMN1; SMN2MAPK1ALDH1A1NPC1
SCHEMBL1366657 0.74 NISCH (0.42) MAPTSMN1; SMN2ALDH1A1HSD17B10NPC1
SCHEMBL240095 0.74 SIGMAR1 (0.42) SMN1; SMN2MAPK1ALDH1A1TSHRNPC1
SCHEMBL4261253 0.71 PTGS2 (0.46)
SCHEMBL1363974 0.71 NISCH (0.45) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP disclosed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP disclosed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO disclosed