SCHEMBL31662468

SCHEMBL31662468

Cn1ncc2cc(C(=O)NN)cc(Oc3ccc(OCCCN4CC5CCC4CO5)cc3)c21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.33
REN P00797 2/20 0.32
BMPR1B O00238 2/20 0.32
BMPR1A P36894 2/20 0.32
TGFBR1 P36897 2/20 0.32
ACVRL1 P37023 2/20 0.32
ACVR1 Q04771 2/20 0.32
SCN9A Q15858 3/20 0.32
HRH2 P25021 2/20 0.31
HRH1 P35367 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 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
SCHEMBL31661956 0.84 HRH3 (0.35) HTR3ASCN9AHRH3
SCHEMBL31662235 0.78 CD38 (0.39) RENBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL31661940 0.78 HTR3A (0.32) HTR3A
SCHEMBL31662377 0.71 SCN9A (0.43) SCN9AHRH3
SCHEMBL31662175 0.70 HRH3 (0.47) HRH3
SCHEMBL31662085 0.70 SCN9A (0.38) SCN9AHRH3
SCHEMBL31662527 0.70 MAPT (0.41) SCN9A
SCHEMBL31662072 0.70 SCN9A (0.39) SCN9AHRH3
SCHEMBL31662144 0.69 PARP15 (0.51) SCN9A
SCHEMBL31662222 0.68 TBXAS1 (0.43) SCN9A

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