SCHEMBL9112957

SCHEMBL9112957

COc1c(C)cccc1C[O]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.40
TSHR P16473 3/20 0.39
SCN4A P35499 7/20 0.37
LMNA P02545 2/20 0.37
SCN1A P35498 2/20 0.37
SCN5A Q14524 2/20 0.37
SCN9A Q15858 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
NFKB1 P19838 2/20 0.37
CYP2C9 P11712 1/20 0.37
KCNK3 O14649 1/20 0.37
CACNA1F O60840 1/20 0.37
KCNK2 O95069 1/20 0.37
GBA1 P04062 1/20 0.37
MAOA P21397 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL13344106 0.85 GABRA1 (0.43) SCN8ATSHRSCN4ALMNASCN1A
SCHEMBL27893818 0.81 ALDH1A1 (0.38) TSHRLMNACYP1A2SLC6A4SMN1; SMN2
SCHEMBL4513903 0.79 SCN4A (0.41) SCN8ATSHRSCN4ALMNASCN1A
SCHEMBL11123175 0.79 SCN8A (0.40) SCN8ATSHRSCN4ALMNASCN1A
SCHEMBL11088431 0.79 SCN8A (0.40) SCN8ATSHRSCN4ALMNASCN1A
SCHEMBL24378512 0.79 SCN8A (0.40) SCN8ATSHRSCN4ALMNASCN1A
SCHEMBL4895058 0.79 SCN4A (0.43) SCN8ATSHRSCN4ALMNASCN1A
SCHEMBL95872 0.79 CA12 (0.53) TSHRLMNACYP1A2CYP3A4CYP2D6
SCHEMBL4897798 0.79 PDCD1 (0.41) SCN8ATSHRSCN4ALMNASCN1A
SCHEMBL4094425 0.79 SCN8A (0.37) SCN8ATSHRSCN4ALMNASCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed