SCHEMBL7845159

SCHEMBL7845159

C1=N[C](C2CCCCC2)N=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.35
TDO2 P48775 2/20 0.34
CYP2C19 P33261 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CEL P19835 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
DAO P14920 1/20 0.31
S1PR3 Q99500 2/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7852189 1.00 CYP11B2 (0.35) CYP11B2TDO2CYP2C19NISCHCYP1A2
SCHEMBL7856562 1.00 CYP11B2 (0.35) CYP11B2TDO2CYP2C19NISCHCYP1A2
SCHEMBL7853833 0.97 TDO2 (0.32) CYP11B2TDO2CYP2C19NISCHCEL
SCHEMBL7844657 0.92
SCHEMBL7853912 0.70 CYP11B2 (0.31) CYP11B2TDO2CYP2C19
SCHEMBL7854523 0.70 CYP11B2 (0.31) CYP11B2TDO2CYP2C19
SCHEMBL7852487 0.70 CYP11B2 (0.31) CYP11B2TDO2CYP2C19
SCHEMBL7852067 0.69 NISCH (0.34) CYP11B2TDO2NISCHKDM4EALDH1A1
SCHEMBL7853874 0.69 NISCH (0.34) CYP11B2TDO2NISCHKDM4EALDH1A1
SCHEMBL7845307 0.69 NISCH (0.34) CYP11B2TDO2NISCHKDM4EALDH1A1

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-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed