SCHEMBL31661973

SCHEMBL31661973

CCn1cnnc1-c1cc(Oc2ccc(N3CCCC3=O)cc2)c2cncn2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
AXL P30530 1/20 0.32
SCN9A Q15858 1/20 0.32
NPC1 O15118 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HRH1 P35367 1/20 0.32
TP53 P04637 1/20 0.32
JAK3 P52333 2/20 0.32
P2RX7 Q99572 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
MAPT P10636 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
SCHEMBL31661980 0.86 SCN9A (0.34) SCN9AHRH3JAK3
SCHEMBL31662179 0.82 CSF1R (0.34) TSHRSCN9A
SCHEMBL31662004 0.82 JAK3 (0.33) JAK3
SCHEMBL31662145 0.76 RAB9A (0.39) ALDH1A1NPC1HRH3HRH1
SCHEMBL31662320 0.75 SMN1; SMN2 (0.42) TSHRHTTSMN1; SMN2ALDH1A1HIF1A
SCHEMBL31662191 0.75 HRH3 (0.44) ALDH1A1LMNAHRH3HRH1
SCHEMBL31662576 0.74 NPC1 (0.42) TSHRSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL31662137 0.74 HRH2 (0.42) HRH3HRH1
SCHEMBL31662299 0.68 JAK3 (0.40) JAK3
SCHEMBL31661899 0.66 HRH3 (0.33) SCN9AHRH3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO claimed
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed