SCHEMBL6181835

SCHEMBL6181835

COc1cc2c(cc1OC)[C@@H](CCc1cccc3ccccc13)NCC2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
BCHE P06276 1/20 0.50
KDM4C Q9H3R0 1/20 0.48
SLC6A3 Q01959 1/20 0.47
GRIN2D O15399 3/20 0.47
GRIN3B O60391 3/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2A Q12879 3/20 0.47
GRIN2B Q13224 3/20 0.47
GRIN2C Q14957 3/20 0.47
GRIN3A Q8TCU5 3/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL4250735 0.89 BCHE (0.58) KMT2AMEN1BCHEKDM4C
SCHEMBL4247469 0.89 BCHE (0.58) KMT2AMEN1BCHEKDM4C
SCHEMBL4247485 0.89 BCHE (0.58) KMT2AMEN1BCHEKDM4C
Bromide SCHEMBL6181180 0.88 BCHE (0.57) KMT2AMEN1BCHEKDM4C
Bromide SCHEMBL6183225 0.88 BCHE (0.57) KMT2AMEN1BCHEKDM4C
SCHEMBL4024456 0.87 KMT2A (0.59) KMT2AMEN1BCHEKDM4CGRIN2D
SCHEMBL4025810 0.85 KMT2A (0.56) KMT2AMEN1BCHEKDM4CGRIN2D
SCHEMBL5742442 0.84 KMT2A (0.65) KMT2AMEN1BCHEKDM4CGRIN2D
SCHEMBL4024598 0.84 KMT2A (0.55) KMT2AMEN1BCHEKDM4CGRIN2D
SCHEMBL4025053 0.84 KMT2A (0.65) KMT2AMEN1BCHEKDM4CGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507764-A4 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS YUN-CHOI HYE-SOOK (KR) 2005-06-22 EP disclosed
EP-1507764-A1 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS Yun-Choi, Hye-Sook (KR) 2005-02-23 EP disclosed
WO-2003095426-A1 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS YUN-CHOI HYE-SOOK (KR) 2003-11-20 WO disclosed