SCHEMBL7288797

SCHEMBL7288797

COc1ccc(OCC(O)CN2CCN(C(C(N)=O)c3ccccc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 13/20 0.65
L3MBTL1 Q9Y468 2/20 0.62
MAPK1 P28482 1/20 0.62
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.58
DRD4 P21917 1/20 0.56

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
SCHEMBL10835709 0.97 CYP2D6 (0.66) CYP2D6L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7288820 0.94 CYP2D6 (0.64) CYP2D6L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7288432 0.92 MEN1 (0.69) CYP2D6L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7288741 0.91 USP2 (0.65) CYP2D6L3MBTL1MEN1KMT2ALMNA
SCHEMBL7282202 0.89 CYP2D6 (0.59) CYP2D6L3MBTL1MAPK1LMNANPSR1
SCHEMBL7282602 0.89 MEN1 (0.56) CYP2D6L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7291652 0.88 KMT2A (0.59) CYP2D6L3MBTL1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL7300682 0.87 LMNA (0.58) CYP2D6MEN1KMT2ALMNANPSR1
SCHEMBL7288616 0.87 CYP2D6 (0.65) CYP2D6L3MBTL1MEN1KMT2ALMNA
SCHEMBL7281734 0.85 CYP2D6 (0.58) CYP2D6L3MBTL1MAPK1MEN1KMT2A

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
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP disclosed