SCHEMBL25554102

SCHEMBL25554102

CC1(C)CCN(c2ccc(C3(O)CCC4(CC3)OCCO4)nc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.38
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MET P08581 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PTPN11 Q06124 1/20 0.34
F12 P00748 1/20 0.34
JAK2 O60674 1/20 0.33
SMO Q99835 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
CHRNB2 P17787 1/20 0.31

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
SCHEMBL25168606 0.93 LGMN (0.38) LGMNPDE10AALDH1A1SMN1; SMN2MAPT
SCHEMBL25195166 0.88 PDE10A (0.35) LGMNPDE10AALDH1A1SMN1; SMN2MAPT
SCHEMBL25448035 0.88 MAPT (0.36) PDE10AALDH1A1MAPTHRH3MET
SCHEMBL25168645 0.87 LGMN (0.45) LGMNPDE10AALDH1A1SMN1; SMN2MAPT
SCHEMBL30407686 0.87 LGMN (0.45) LGMNPDE10AALDH1A1SMN1; SMN2MAPT
SCHEMBL25554103 0.84 CASP6 (0.43) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL25171946 0.84 MAPT (0.39) LGMNALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL25174602 0.83 KDM4E (0.38) LGMNPDE10AALDH1A1HRH3MET
SCHEMBL25194368 0.81 MAP4K4 (0.32) PDE10AALDH1A1MAPTHRH3RAB9A
SCHEMBL30407535 0.81 MAP4K4 (0.32) PDE10AALDH1A1MAPTHRH3RAB9A

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-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 WO disclosed