SCHEMBL7288404

SCHEMBL7288404

Cc1ccc(C)c(C(C(N)=O)N2CCN(CC(O)COc3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 2/20 0.54
USP2 O75604 1/20 0.54
MAPT P10636 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP2D6 P10635 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HIF1A Q16665 1/20 0.50
ABCB1 P08183 4/20 0.49
HTT P42858 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
SCHEMBL7288468 0.88 MEN1 (0.56) TSHRMAPTMEN1KMT2ACYP2D6
SCHEMBL7288616 0.85 CYP2D6 (0.65) L3MBTL1TSHRUSP2MAPTMEN1
SCHEMBL7288741 0.83 USP2 (0.65) L3MBTL1TSHRUSP2MAPTMEN1
SCHEMBL7283526 0.83 L3MBTL1 (0.60) L3MBTL1TSHRUSP2MEN1KMT2A
SCHEMBL7288432 0.82 MEN1 (0.69) L3MBTL1TSHRMAPTMEN1KMT2A
SCHEMBL7281277 0.81 KMT2A (0.60) L3MBTL1TSHRMAPTMEN1KMT2A
SCHEMBL7296395 0.81 MAPT (0.66) L3MBTL1TSHRUSP2MAPTMEN1
SCHEMBL10835718 0.81 USP2 (0.64) TSHRUSP2MAPTMEN1KMT2A
SCHEMBL7281988 0.80 MEN1 (0.59) TSHRMAPTMEN1KMT2ACYP2D6
SCHEMBL7281560 0.79 NPSR1 (0.55) TSHRUSP2MAPTMEN1KMT2A

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