SCHEMBL7314752

SCHEMBL7314752

OC1CCC(N2CCCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 6/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
MBTD1 Q05BQ5 4/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
TP53BP1 Q12888 1/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
PKM P14618 1/20 0.39
FYN P06241 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL2007941 1.00 L3MBTL3 (0.42) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL15115908 1.00 L3MBTL3 (0.42) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL2006418 0.97 L3MBTL3 (0.43) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL15115938 0.97 L3MBTL3 (0.43) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL2002883 0.92 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL32671991 0.92 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL827994 0.86
SCHEMBL20756261 0.86 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL26394048 0.86 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL26111928 0.86 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19

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