SCHEMBL7322371

SCHEMBL7322371

CC(=O)NC1CCc2nc(NCc3ccccc3)sc2C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
GSK3B P49841 3/20 0.48
CSNK2A1 P68400 3/20 0.48
SCN3A Q9NY46 1/20 0.47
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL7318633 0.89 SCN3A (0.48) MAPTGSK3BCSNK2A1SCN3ANPC1
SCHEMBL7321908 0.85 MAPT (0.70) MAPTGSK3BCSNK2A1NPC1ALDH1A1
SCHEMBL7313264 0.83 GSK3B (0.46) GSK3BCSNK2A1NPC1RAB9A
Hydrochloric Acid SCHEMBL7315745 0.82 MAPT (0.47) MAPTGSK3BCSNK2A1SCN3ANPC1
SCHEMBL7315480 0.81 GSK3B (0.58) MAPTGSK3BCSNK2A1NPC1ALDH1A1
SCHEMBL7319160 0.81 DRD3 (0.49) GSK3BCSNK2A1
SCHEMBL7325736 0.79 NPC1 (0.42) GSK3BCSNK2A1NPC1RAB9A
SCHEMBL7319478 0.79 NPC1 (0.48) GSK3BCSNK2A1SCN3ANPC1RAB9A
SCHEMBL7312903 0.79 NPC1 (0.54) MAPTGSK3BCSNK2A1NPC1ALDH1A1
Bromide SCHEMBL7319918 0.77 MAPT (0.47) MAPTGSK3BCSNK2A1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4886812-A REGULATING DOPAMINE CONCENTRATION; PARKINSON DISEASE, HYPOTENSIVE AGENT, SCHIZOPHRENIA DR. KARL THOMAE GMBH (DE) 1989-12-12 US disclosed
US-4843086-A HYPOTENSIVE AGENTS, SCHIZOPHRENIA, PARKINSON'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1989-06-27 US disclosed
US-4731374-A PARKINSON*S DISEASE DR. KARL THOMAE GMBH (DE) 1988-03-15 US disclosed
EP-0186087-A1 Tetrahydro-benzothiazoles, their production and their use as intermediates or drugs Dr. Karl Thomae GmbH (DE) 1986-07-02 EP disclosed