SCHEMBL8960011

SCHEMBL8960011

COc1ccc2c(c1OC)CCC(NC(=O)C(F)(F)F)C2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.52
MTNR1B P49286 10/20 0.52
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
ACHE P22303 4/20 0.50
NQO2 P16083 1/20 0.43
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 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
SCHEMBL6839554 0.85 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL7332053 0.82 MTNR1A (0.63) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL7332063 0.82 MTNR1A (0.63) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL7275285 0.81 MTNR1A (0.54) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL7272029 0.81 MTNR1A (0.54) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL21798809 0.79 MTNR1A (0.49) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL4216627 0.79 CYP1A2 (0.57) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL4656341 0.79 CYP1A2 (0.57) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL4207460 0.79 MTNR1A (0.47) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL7270631 0.78 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0534536-B1 Process for the preparation of 2-amino-5,6-dimethoxy-tetralin ZAMBON SPA (IT) 1996-01-31 EP claimed
US-5221770-A PROCESS FOR THE PREPARATION OF 2-AMINO-5,6-DIMETHOXY-TETRALIN ZAMBON GROUP S.P.A. (IT) 1993-06-22 US claimed
EP-0534536-A2 Process for the preparation of 2-amino-5,6-dimethoxy-tetralin ZAMBON GROUP S.p.A. (IT) 1993-03-31 EP claimed
JP-5201939-A None JP disclosed
EP-0534536-B1 Process for the preparation of 2-amino-5,6-dimethoxy-tetralin ZAMBON SPA (IT) 1996-01-31 EP disclosed
JP-H05201939-A PRODUCTION OF 2-AMINO-5,6-DIMETHOXY TETRALIN ZAMBON GROUP SPA 1993-08-10 JP disclosed
US-5221770-A PROCESS FOR THE PREPARATION OF 2-AMINO-5,6-DIMETHOXY-TETRALIN ZAMBON GROUP S.P.A. (IT) 1993-06-22 US disclosed
EP-0534536-A2 Process for the preparation of 2-amino-5,6-dimethoxy-tetralin ZAMBON GROUP S.p.A. (IT) 1993-03-31 EP disclosed