SCHEMBL7296395

SCHEMBL7296395

Cc1ccc(C(C(N)=O)N2CCN(CC(O)COc3cccc(C)c3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.59
TSHR P16473 2/20 0.56
GAA P10253 1/20 0.56
USP2 O75604 1/20 0.55
CYP2D6 P10635 3/20 0.54
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
ABCB1 P08183 2/20 0.50
ACE2 Q9BYF1 1/20 0.50
MAPK1 P28482 1/20 0.49
NLRP3 Q96P20 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL7288616 0.91 CYP2D6 (0.65) MAPTKMT2AMEN1L3MBTL1TSHR
SCHEMBL7281277 0.88 KMT2A (0.60) MAPTKMT2AMEN1L3MBTL1TSHR
SCHEMBL7288741 0.86 USP2 (0.65) MAPTKMT2AMEN1L3MBTL1TSHR
SCHEMBL7288432 0.82 MEN1 (0.69) MAPTKMT2AMEN1L3MBTL1TSHR
SCHEMBL7279511 0.82 CYP2D6 (0.59) MAPTKMT2AMEN1TSHRGAA
SCHEMBL10835718 0.81 USP2 (0.64) MAPTKMT2AMEN1TSHRUSP2
SCHEMBL10835709 0.81 CYP2D6 (0.66) KMT2AMEN1L3MBTL1CYP2D6MAPK1
SCHEMBL7289903 0.81 TP53 (0.57) MAPTKMT2AMEN1L3MBTL1GAA
SCHEMBL7288404 0.81 L3MBTL1 (0.55) MAPTKMT2AMEN1L3MBTL1TSHR
SCHEMBL7288820 0.81 CYP2D6 (0.64) MAPTKMT2AMEN1L3MBTL1TSHR

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