SCHEMBL25554103

SCHEMBL25554103

CC(=O)N1CCN(c2ccc(C3(O)CCC4(CC3)OCCO4)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.43
GFER P55789 1/20 0.43
AOC3 Q16853 11/20 0.41
AKR1C3 P42330 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
ALK Q9UM73 1/20 0.39
WNT3A P56704 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL25448035 0.87 MAPT (0.36) GFERMEN1MAPTKMT2A
SCHEMBL25554102 0.84 LGMN (0.38) AKR1C3MEN1MAPTKMT2ANPC1
SCHEMBL25168606 0.84 LGMN (0.38) AOC3AKR1C3MEN1MAPTKMT2A
SCHEMBL30407686 0.84 LGMN (0.45) AKR1C3MEN1MAPTKMT2ANPC1
SCHEMBL25168645 0.84 LGMN (0.45) AKR1C3MEN1MAPTKMT2ANPC1
SCHEMBL25174602 0.82 KDM4E (0.38) AKR1C3WNT3A
SCHEMBL25171946 0.81 MAPT (0.39) MAPTNPC1RAB9A
SCHEMBL25448070 0.81 OPRM1 (0.38) AOC3MEN1KMT2A
SCHEMBL25184671 0.81 PDK2 (0.41) MAPTNPC1RAB9A
SCHEMBL25195166 0.80 PDE10A (0.35) MEN1MAPTKMT2ANPC1RAB9A

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