SCHEMBL7203346

SCHEMBL7203346

CCOc1cc(OC)cc(OC)c1CN1CC2CCCN2C(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CD274 Q9NZQ7 5/20 0.37
TACR1 P25103 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7203339 1.00 KMT2A (0.38) KMT2AMEN1ALDH1A1CD274TACR1
Hydrochloric Acid SCHEMBL6540053 0.99 KMT2A (0.38) KMT2AMEN1ALDH1A1CD274TACR1
Hydrochloric Acid SCHEMBL6541744 0.93 TACR1 (0.39) KMT2AMEN1ALDH1A1CD274TACR1
Hydrochloric Acid SCHEMBL7197854 0.93 TACR1 (0.39) KMT2AMEN1ALDH1A1CD274TACR1
Hydrochloric Acid SCHEMBL7197850 0.93 TACR1 (0.39) KMT2AMEN1ALDH1A1CD274TACR1
SCHEMBL7200487 0.90 TACR1 (0.37) KMT2AMEN1ALDH1A1CD274TACR1
SCHEMBL7200483 0.90 TACR1 (0.37) KMT2AMEN1ALDH1A1CD274TACR1
SCHEMBL6541357 0.90 TACR1 (0.41) KMT2AMEN1TACR1L3MBTL1
Hydrochloric Acid SCHEMBL6540110 0.89 TACR1 (0.37) KMT2AMEN1ALDH1A1CD274TACR1
Hydrochloric Acid SCHEMBL6541688 0.87 TACR1 (0.38) KMT2AMEN1ALDH1A1TACR1TSHR

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-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed