SCHEMBL30406901

SCHEMBL30406901

CN(C)Cc1ccc(C2(O)CCC3(CC2)OCCO3)nc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
C5AR1 P21730 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
PDE10A Q9Y233 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL744179 1.00 SLC6A4 (0.34) SLC6A4SLC6A3C5AR1CHRNB2CHRNA4
SCHEMBL27672544 0.82 HTR1A (0.42) SLC6A4SLC6A3CHRNB2CHRNA4PDE10A
SCHEMBL13646233 0.80 SYK (0.36) CHRNB2CHRNA4HRH3ALDH1A1
SCHEMBL8534738 0.79 SLC6A4 (0.44) SLC6A4SLC6A3C5AR1HRH3NOS3
SCHEMBL745497 0.78 CHRNB2 (0.34) CHRNB2CHRNA4HRH3
SCHEMBL25198368 0.78 DHFR (0.36) C5AR1CHRNB2CHRNA4PDE10AALDH1A1
SCHEMBL15180526 0.77 HRH3 (0.42) PDE10AHRH3NOS3NOS2ALDH1A1
SCHEMBL6267340 0.76 PDE10A (0.31) PDE10A
SCHEMBL25188918 0.75 ALOX5 (0.34) ALDH1A1
SCHEMBL745011 0.75 SMN1; SMN2 (0.35) PDE10AMEN1ALDH1A1KMT2A

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