SCHEMBL7318100

SCHEMBL7318100

OC1CCC(NCc2ccc(Cl)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ACHE P22303 3/20 0.55
BACE1 P56817 3/20 0.55
BCHE P06276 2/20 0.55
RAB9A P51151 2/20 0.50
LTA4H P09960 1/20 0.50
LMNA P02545 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
NPC1 O15118 1/20 0.47
ALOX12 P18054 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX1 P07099 1/20 0.45
HTT P42858 1/20 0.44
KDM1A O60341 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
JAK2 O60674 1/20 0.44

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
SCHEMBL3236686 0.91 POLB (0.81) POLBMEN1KMT2AACHEBACE1
SCHEMBL31083251 0.83 POLB (0.89) POLBMEN1KMT2AACHEBACE1
SCHEMBL11112228 0.83 POLB (0.96) POLBMEN1KMT2AACHEBACE1
SCHEMBL7316285 0.83 KMT2A (0.55) POLBMEN1KMT2ARAB9ALMNA
SCHEMBL5863714 0.81 POLB (0.93) POLBMEN1KMT2AACHEBACE1
SCHEMBL14657362 0.81 GRIN2B (0.62) MEN1KMT2AACHEBACE1BCHE
SCHEMBL11615671 0.81 POLB (0.93) POLBMEN1KMT2AACHEBACE1
SCHEMBL5246474 0.81 GRIN2B (0.62) MEN1KMT2AACHEBACE1BCHE
SCHEMBL10073807 0.80 MEN1 (0.69) POLBMEN1KMT2AACHEBACE1
Hydrochloric Acid SCHEMBL5244788 0.80 MEN1 (0.66) MEN1KMT2AACHEBACE1BCHE

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