SCHEMBL6673084

SCHEMBL6673084

[CH](OCOC1CCCC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
DPP4 P27487 2/20 0.38
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
G6PC1 P35575 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
OPRL1 P41146 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL9798232 0.76 ALDH1A1 (0.39) HPGDMAPTG6PC1KDM4EALDH1A1
SCHEMBL1004985 0.75 POLB (0.41) POLBGAAHPGDMAPTKDM4E
SCHEMBL6497100 0.74 SIGMAR1 (0.42) OPRM1POLBGAAKDM4EHTR2A
SCHEMBL1006660 0.73 IDO1 (0.43) POLBGAAHPGDMAPTG6PC1
SCHEMBL8200228 0.73 SIGMAR1 (0.41) OPRM1POLBGAAHPGDKDM4E
SCHEMBL4421635 0.71 OPRM1 (0.40) OPRM1DPP4HPGDKDM4ECHRNB4
SCHEMBL355570 0.71 OPRM1 (0.56) OPRM1DPP4OPRL1HTR2AHTR2C
SCHEMBL6268154 0.70 VCP (0.43) HPGDRAB9A
SCHEMBL4415635 0.70 KDM4E (0.40) OPRM1DPP4HPGDKDM4ECHRNB4
SCHEMBL3067136 0.69 SIGMAR1 (0.44) OPRM1DPP4HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed