SCHEMBL7323540

SCHEMBL7323540

CN(C)C1CCCC(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
DRD2 P14416 3/20 0.37
DRD1 P21728 1/20 0.37
CHRM3 P20309 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 0.33
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL3201704 0.86
Methyl Alcohol SCHEMBL28429897 0.82 DRD2 (0.46) DRD2DRD1CHRM3CHRM2CHRM1
SCHEMBL6957732 0.82 TRIM24 (0.39) THRBDRD2DRD1CHRM3CHRM2
SCHEMBL11007667 0.78 THRB (0.40) THRBMAPK1MAPTALDH1A1
SCHEMBL26728342 0.77 DRD2 (0.43) THRBDRD2DRD4DRD3HTR1A
SCHEMBL11007761 0.76 TRIM24 (0.36) THRBMAPK1MAPTTRIM24TRIM33
SCHEMBL1691935 0.74 THRB (0.47) THRBMAPK1MAPTALDH1A1
SCHEMBL15130802 0.72 ADH1B (0.38) THRBMAPK1TRIM24TRIM33ADH1C
SCHEMBL31071193 0.72 HSD11B1 (0.39) THRB
SCHEMBL16128180 0.71 DRD2 (0.32) DRD2DRD1MAPK1DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114426494-B Substituted methylamine derivatives acting on TAAR agonist 江苏海洋大学 2023-09-15 CN disclosed
CN-114426494-A Substituted methylamine derivative acting on TAAR agonist 江苏海洋大学 2022-05-03 CN disclosed
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
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed