SCHEMBL25184656

SCHEMBL25184656

CC(C)(C)c1ccc(C2(O)CCC3(CC2)OCCO3)nc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.35
PDE10A Q9Y233 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL30406677 1.00 SMO (0.35) SMOPDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL745737 0.90 SMO (0.43) SMOPDE10A
SCHEMBL30408650 0.86 SCN9A (0.39) PDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL25188756 0.86 SCN9A (0.39) PDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL15180526 0.81 HRH3 (0.42) PDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL6267340 0.79 PDE10A (0.31) PDE10A
SCHEMBL15167374 0.78 PTPN11 (0.34) PDE10A
SCHEMBL745011 0.78 SMN1; SMN2 (0.35) PDE10ASMN1; SMN2
SCHEMBL7659846 0.77 MAPT (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL25190685 0.77 KMT2A (0.33) PDE10ASMN1; SMN2

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