SCHEMBL7845102

SCHEMBL7845102

C1=C[C](C2CCCCCC2)N=C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.31
TDO2 P48775 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7852052 1.00 CYP11B2 (0.31) CYP11B2TDO2CYP2C19
SCHEMBL7855962 1.00 CYP11B2 (0.31) CYP11B2TDO2CYP2C19
SCHEMBL7856375 0.93
SCHEMBL7856562 0.65 CYP11B2 (0.35) CYP11B2TDO2CYP2C19
SCHEMBL7845159 0.65 CYP11B2 (0.35) CYP11B2TDO2CYP2C19
SCHEMBL7852189 0.65 CYP11B2 (0.35) CYP11B2TDO2CYP2C19
SCHEMBL2766032 0.64 BACE1 (0.33) CYP11B2TDO2
SCHEMBL7853483 0.64 BACE1 (0.33) CYP11B2TDO2
SCHEMBL7853195 0.64 BACE1 (0.33) CYP11B2TDO2
SCHEMBL7853833 0.62 TDO2 (0.32) CYP11B2TDO2CYP2C19

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