SCHEMBL7200487

SCHEMBL7200487

COc1cc(OC)c(CN2CC3CCCN3C(C(c3ccccc3)c3ccccc3)C2)c(OC(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
CD274 Q9NZQ7 4/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 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
SCHEMBL7200483 1.00 TACR1 (0.37) TACR1KMT2AALDH1A1MEN1CD274
Hydrochloric Acid SCHEMBL6540110 0.99 TACR1 (0.37) TACR1KMT2AALDH1A1MEN1CD274
Hydrochloric Acid SCHEMBL7197854 0.94 TACR1 (0.39) TACR1KMT2AALDH1A1MEN1CD274
Hydrochloric Acid SCHEMBL7197850 0.94 TACR1 (0.39) TACR1KMT2AALDH1A1MEN1CD274
Hydrochloric Acid SCHEMBL6541744 0.94 TACR1 (0.39) TACR1KMT2AALDH1A1MEN1CD274
SCHEMBL7203346 0.90 KMT2A (0.38) TACR1KMT2AALDH1A1MEN1CD274
SCHEMBL7203339 0.90 KMT2A (0.38) TACR1KMT2AALDH1A1MEN1CD274
SCHEMBL7204313 0.90 TACR1 (0.42) TACR1KMT2AMEN1TP53
SCHEMBL7204308 0.90 TACR1 (0.42) TACR1KMT2AMEN1TP53
SCHEMBL6540684 0.90 TACR1 (0.42) TACR1KMT2AMEN1TP53

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