SCHEMBL7029994

SCHEMBL7029994

CC(C)C(=O)OC(NC1CCc2ccccc2C1)OC(=O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.54
MTNR1B P49286 5/20 0.54
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
NPC1 O15118 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL13996919 0.76 DRD2 (0.62) MTNR1AMTNR1BCA1CA2KMT2A
SCHEMBL26763719 0.76 MTNR1A (0.69) MTNR1AMTNR1BCA1CA2MAOA
SCHEMBL7140911 0.75 MTNR1A (0.52) MTNR1AMTNR1BTP53CYP1A2CYP3A4
SCHEMBL27451013 0.73 MTNR1A (0.56) MTNR1AMTNR1BTP53CYP1A2CYP3A4
SCHEMBL16691724 0.73 MTNR1A (0.45) MTNR1AMTNR1BTP53CYP1A2CYP3A4
SCHEMBL17530032 0.71 GAA (0.60) MTNR1AMTNR1BCA1CA2MEN1
SCHEMBL7336815 0.71 GAA (0.60) MTNR1AMTNR1BCA1CA2MEN1
SCHEMBL17530027 0.71 GAA (0.60) MTNR1AMTNR1BCA1CA2MEN1
SCHEMBL1970411 0.70 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2MAOA
SCHEMBL30829050 0.70 CHRM1 (0.44) MTNR1AMTNR1BCYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280759-A1 OPTICALLY ACTIVE 2-AMINOTETRALIN DERIVATIVES, THE PROCESSES FOR THE PREPARATION THEREOF AND THE THERAPEUTICAL USE OF PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHIESI FARMACEUTICI S.p.A. (IT) 2003-02-05 EP claimed
WO-2001085668-A1 OPTICALLY ACTIVE 2-AMINOTETRALIN DERIVATIVES, THE PROCESSES FOR THE PREPARATION THEREOF AND THE THERAPEUTICAL USE OF PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHIESI FARMACEUTICI S.P.A. (IT) 2001-11-15 WO claimed