SCHEMBL7817441

SCHEMBL7817441

CC(C)N1CCc2ccc(NC(=N)c3cccs3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
LMNA P02545 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
NOS3 P29474 1/20 0.41
TP53 P04637 6/20 0.38
BTK Q06187 1/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL3111905 0.86 NOS3 (0.55) MAPTLMNANPC1RAB9ANFKB1
Hydrochloric Acid SCHEMBL7827936 0.85 NOS3 (0.54) MAPTLMNANPC1RAB9ANFKB1
SCHEMBL7484159 0.83 ALDH1A1 (0.44) MAPTLMNANPC1RAB9ANFKB1
SCHEMBL7818530 0.82 MAPT (0.46) MAPTLMNANPC1RAB9ANFKB1
Hydrochloric Acid SCHEMBL7832873 0.81 MAPT (0.45) MAPTLMNANPC1RAB9ANFKB1
SCHEMBL7817520 0.81 RAB9A (0.44) MAPTLMNANPC1RAB9ANFKB1
Hydrochloric Acid SCHEMBL7828292 0.80 RAB9A (0.43) MAPTLMNANPC1RAB9ANFKB1
SCHEMBL7511356 0.79 RAB9A (0.45) MAPTLMNANPC1RAB9ANFKB1
SCHEMBL7824440 0.79 DRD2 (0.47) MAPTLMNANPC1RAB9ANFKB1
Hydrochloric Acid SCHEMBL7510744 0.78 LMNA (0.44) MAPTLMNANPC1RAB9ANFKB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983266-B1 novel tetrahydroisoquinolin thiophenecarboximidamides ASTRAZENECA AB (SE) 2001-12-12 EP claimed
EP-0983266-A1 COMPOUNDS Astra Aktiebolag (SE) 2000-03-08 EP claimed
WO-1998050380-A1 COMPOUNDS ASTRA AKTIEBOLAG (SE) 1998-11-12 WO claimed
EP-0983266-B1 novel tetrahydroisoquinolin thiophenecarboximidamides ASTRAZENECA AB (SE) 2001-12-12 EP disclosed
US-6166030-A Compounds ASTRA AKTIEBOLAG (SE) 2000-12-26 US disclosed
EP-0983266-A1 COMPOUNDS Astra Aktiebolag (SE) 2000-03-08 EP disclosed
WO-1998050380-A1 COMPOUNDS ASTRA AKTIEBOLAG (SE) 1998-11-12 WO disclosed