SCHEMBL31662283

SCHEMBL31662283

COC(=O)c1cc2cnn(C)c2cc1Oc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 2/20 0.43
MAPK14 Q16539 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MCHR1 Q99705 3/20 0.43
SRD5A2 P31213 2/20 0.43
MCHR2 Q969V1 2/20 0.42
TRIM24 O15164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 1/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
SRD5A1 P18405 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL31662388 0.91 SRD5A2 (0.47) PDE1CMAPK14MEN1KMT2AMCHR1
SCHEMBL31662602 0.89 PARP10 (0.46) PDE1CMAPK14MEN1KMT2AMCHR1
SCHEMBL31662194 0.86 SCN9A (0.43) PDE1CSMN1; SMN2CYP2C19NOTUM
SCHEMBL31662415 0.83 SCN9A (0.46) PDE1CKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31662262 0.81 LMNA (0.46) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL31662426 0.80 CYP4A11 (0.44) PDE1CSMN1; SMN2NOTUM
SCHEMBL31662169 0.80 SCN9A (0.44) PDE1CSMN1; SMN2NOTUM
SCHEMBL31662635 0.77 SCN9A (0.48) PDE1CNOTUM
SCHEMBL31662421 0.74 MCL1 (0.44) MEN1KMT2ANOTUM
SCHEMBL31662483 0.74 SYK (0.41) PDE1CNOTUM

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