SCHEMBL31662415

SCHEMBL31662415

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
KMT2A Q03164 1/20 0.43
PDE1C Q14123 2/20 0.42
P2RX3 P56373 3/20 0.40
CACNA1H O95180 1/20 0.40
RAB9A P51151 3/20 0.39
SHMT2 P34897 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAOB P27338 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAOA P21397 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
NPBWR1 P48145 1/20 0.39
NPC1 O15118 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL31662194 0.89 SCN9A (0.43) SCN9APDE1CCACNA1HSMN1; SMN2MAOA
SCHEMBL31662426 0.84 CYP4A11 (0.44) SCN9APDE1CCACNA1HSMN1; SMN2MAPT
SCHEMBL31662169 0.83 SCN9A (0.44) SCN9APDE1CCACNA1HMAOBSMN1; SMN2
SCHEMBL31662283 0.83 PDE1C (0.43) KMT2APDE1CRAB9ASMN1; SMN2NPC1
SCHEMBL31662635 0.82 SCN9A (0.48) SCN9APDE1CCACNA1HMAOBMAOA
SCHEMBL27273986 0.79 PDE1C (0.46) SCN9AKMT2APDE1CCACNA1HMAOB
SCHEMBL31662618 0.76 CACNA1H (0.41) SCN9APDE1CCACNA1HMAOBMAOA
SCHEMBL31662483 0.76 SYK (0.41) SCN9APDE1C
SCHEMBL31602861 0.73 KMT2A (0.48) KMT2APDE1CCACNA1HMAOBMAOA
SCHEMBL31169517 0.73 PDE1C (0.46) SCN9AKMT2APDE1CCACNA1HMAOB

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