SCHEMBL9452006

SCHEMBL9452006

CCCN1CCC=C(c2csc(NC)n2)C1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
KCNH2 Q12809 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9835839 0.93
SCHEMBL9833630 0.91
SCHEMBL9835802 0.84 ABL1 (0.45)
SCHEMBL9451955 0.83 CHRM2 (0.46) CHRM2CHRM4CHRM5ADRA2AADRA2B
SCHEMBL9833430 0.77 DHFR (0.42) NPC1
Hydrochloric Acid SCHEMBL10698643 0.77 DHFR (0.42)
SCHEMBL9451944 0.75
SCHEMBL9729003 0.75 CHRM2 (0.40) CHRM2CHRM4CHRM5ADRA2AADRA2B
SCHEMBL9835620 0.74 NPC1 (0.46) CHRM2CHRM4CHRM5ADRA2AADRA2B
SCHEMBL9833971 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234011-B1 4-(1,2,5,6-TETRAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES AND 4-(HEXAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES WARNER-LAMBERT COMPANY (US) 1991-09-18 EP claimed
EP-0234011-A1 4-(1,2,5,6-tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines WARNER-LAMBERT COMPANY (US) 1987-09-02 EP claimed
US-RE34242-E Amino-oxazole compounds having dopaminergic activity AKZO N.V. (NL) 1993-05-04 US disclosed
EP-0234011-B1 4-(1,2,5,6-TETRAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES AND 4-(HEXAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES WARNER-LAMBERT COMPANY (US) 1991-09-18 EP disclosed
US-4904676-A DOPAMINE AGONIST; NERVOUS SYSTEM AND CARDIOVASCULAR DISORDERS AKZO N.V. (NL) 1990-02-27 US disclosed
US-4739067-A NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS, HYPOTENSIVE AGENT, HORMONE INHIBITORS WARNER-LAMBERT COMPANY (US) 1988-04-19 US disclosed
EP-0244018-A1 Amino-thiazole and oxazole derivatives AKZO N.V. (NL) 1987-11-04 EP disclosed
EP-0234011-A1 4-(1,2,5,6-tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines WARNER-LAMBERT COMPANY (US) 1987-09-02 EP disclosed
US-4650805-A 4-(1,2,5,6-Tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines having anti-psychotic activity WARNER-LAMBERT COMPANY (US) 1987-03-17 US disclosed