SCHEMBL9835017

SCHEMBL9835017

CCCN1CCCC(c2csc(NC(C)=O)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
DHFR P00374 2/20 0.47
EGFR P00533 2/20 0.47
RORC P51449 1/20 0.46
TMIGD3 P0DMS9 1/20 0.45
ADORA1 P30542 1/20 0.45
DRD3 P35462 2/20 0.45
ACHE P22303 1/20 0.44
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARP1 P09874 1/20 0.41

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
Hydrochloric Acid SCHEMBL9836091 0.99 ADRA2B (0.47) ADRA2BSLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL10699121 0.87 TMIGD3 (0.51) ADRA2BSLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL9893178 0.79 TMIGD3 (0.61) RORCTMIGD3ADORA1NPC1RAB9A
SCHEMBL16480470 0.77 ADORA1 (0.70) RORCTMIGD3ADORA1NPC1RAB9A
SCHEMBL9834554 0.77 LMNA (0.49) DRD3DRD2DRD1DRD4DRD5
SCHEMBL9834088 0.77 LMNA (0.49) DRD3DRD2DRD1DRD4DRD5
SCHEMBL9836780 0.77 LMNA (0.49) DRD3DRD2DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL9836442 0.76 LMNA (0.48) DRD3DRD2DRD1DRD4DRD5
SCHEMBL31576113 0.72 TMIGD3 (0.50) RORCTMIGD3ADORA1NPC1RAB9A
SCHEMBL23704995 0.70 BTK (0.44) RORCTMIGD3ADORA1NPC1RAB9A

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 7 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
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
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP disclosed
US-4739067-A NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS, HYPOTENSIVE AGENT, HORMONE INHIBITORS WARNER-LAMBERT COMPANY (US) 1988-04-19 US 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