SCHEMBL7279486

SCHEMBL7279486

NC(=O)C(c1ccccc1)N1CCN(CC(O)CSc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7281310 0.92 MAPT (0.49) MAPTKMT2AMEN1OPRM1OPRD1
SCHEMBL11719282 0.83 MAPT (0.68) MAPTKMT2AMEN1OPRM1OPRD1
SCHEMBL4578627 0.83 MAPT (0.68) MAPTKMT2AMEN1OPRM1OPRD1
SCHEMBL9142116 0.82 KMT2A (0.64) MAPTKMT2AMEN1OPRM1OPRD1
SCHEMBL9142228 0.82 MAPT (0.60) MAPTKMT2AMEN1OPRM1OPRD1
SCHEMBL7288432 0.78 MEN1 (0.69) MAPTKMT2AMEN1LMNAHTT
SCHEMBL29286032 0.78 ALDH1A1 (0.55) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL9140220 0.77 MAPT (0.55) MAPTKMT2AMEN1OPRM1OPRD1
SCHEMBL7282602 0.76 MEN1 (0.56) MAPTKMT2AMEN1POLBLMNA
SCHEMBL7279868 0.76 CYP2D6 (0.46) MAPTKMT2AMEN1SCN5ALMNA

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