SCHEMBL6681282

SCHEMBL6681282

CCOc1cccc(NCCN2CCOc3ccccc32)c1OC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 4/20 0.42
RXFP1 Q9HBX9 2/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
HTR1A P08908 1/20 0.40
SLC6A4 P31645 1/20 0.40
HPGD P15428 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
MTNR1A P48039 1/20 0.37

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
SCHEMBL6678323 0.94 HTR1A (0.42) TSHRTP53MAPTRXFP1LMNA
SCHEMBL6681524 0.80 MAPT (0.47) TSHRTP53MAPTRXFP1LMNA
SCHEMBL6675390 0.77 ALDH1A1 (0.46) TP53MAPTLMNATHRBALDH1A1
SCHEMBL6532465 0.73 MAPT (0.41) TSHRTP53MAPTRXFP1LMNA
SCHEMBL27556347 0.68 TSHR (0.39) TSHRMAPTRXFP1LMNAHTR1A
SCHEMBL15558253 0.68 L3MBTL1 (0.46) MAPTNPC1ALDH1A1KMT2A
SCHEMBL28500891 0.67 TSHR (0.49) TSHRMAPTRXFP1LMNAHTR1A
SCHEMBL6657333 0.67 TP53 (0.42) TP53MAPTRXFP1LMNATHRB
SCHEMBL7531724 0.67 MAPT (0.45) TP53MAPTLMNATHRBALDH1A1
SCHEMBL5939919 0.67 MAPT (0.49) TSHRMAPTRXFP1LMNAHTR1A

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-1436268-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 EP disclosed
WO-2003033481-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-04-24 WO disclosed