SCHEMBL9689540

SCHEMBL9689540

COc1ccc(NCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
USP2 O75604 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA1D P25100 1/20 0.42
MAPK3 P27361 1/20 0.42

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
SCHEMBL9690256 0.80 CYP4F2 (0.53) CYP4F2MAPTKMT2AMEN1TDP1
SCHEMBL9313974 0.80 CYP3A4 (0.49) CYP4F2MAPTKMT2AMEN1TDP1
SCHEMBL9313773 0.73 CYP4F2 (0.46) CYP4F2MAPTKMT2AMEN1TDP1
SCHEMBL18933886 0.73 MAPT (0.55) CYP4F2MAPTKMT2AMEN1TDP1
SCHEMBL9314063 0.72 MAPT (0.47) CYP4F2MAPTKMT2AMEN1TDP1
SCHEMBL9631272 0.71 MAPT (0.48) CYP4F2MAPTKMT2AMEN1TDP1
SCHEMBL9428539 0.71 USP2 (0.46) CYP4F2MAPTKMT2AMEN1TDP1
SCHEMBL15851242 0.70 MAPT (0.55) CYP4F2MAPTKMT2AMEN1TDP1
SCHEMBL9688222 0.70 ALOX5 (0.46) CYP4F2MAPTKMT2AMEN1TDP1
SCHEMBL15821679 0.70 MAPT (0.46) CYP4F2MAPTKMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP claimed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP claimed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP claimed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO claimed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO disclosed