SCHEMBL7288741

SCHEMBL7288741

Cc1ccc(OCC(O)CN2CCN(C(C(N)=O)c3ccccc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.65
TSHR P16473 1/20 0.65
CYP2D6 P10635 5/20 0.65
MAPT P10636 2/20 0.64
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.56
HTT P42858 1/20 0.55
POLB P06746 1/20 0.53
HTR7 P34969 1/20 0.53

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 0.96 CYP2D6 (0.65) USP2TSHRCYP2D6MAPTMEN1
SCHEMBL7288432 0.92 MEN1 (0.69) TSHRCYP2D6MAPTMEN1KMT2A
SCHEMBL7288797 0.91 CYP2D6 (0.65) CYP2D6MEN1KMT2ALMNANPSR1
SCHEMBL7282602 0.89 MEN1 (0.56) USP2CYP2D6MAPTMEN1KMT2A
SCHEMBL10835709 0.88 CYP2D6 (0.66) CYP2D6MEN1KMT2AL3MBTL1POLB
SCHEMBL7296395 0.86 MAPT (0.66) USP2TSHRCYP2D6MAPTMEN1
SCHEMBL10835718 0.86 USP2 (0.64) USP2TSHRCYP2D6MAPTMEN1
SCHEMBL7288820 0.85 CYP2D6 (0.64) USP2TSHRCYP2D6MAPTMEN1
SCHEMBL7279511 0.85 CYP2D6 (0.59) USP2TSHRCYP2D6MAPTMEN1
SCHEMBL7280491 0.85 L3MBTL1 (0.60) TSHRCYP2D6MAPTMEN1KMT2A

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