SCHEMBL9835802

SCHEMBL9835802

CCCN1CCC=C(c2csc(NC(C)=O)n2)C1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
DHFR P00374 3/20 0.44
EGFR P00533 3/20 0.44
TYR P14679 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
SCHEMBL9833430 0.92 DHFR (0.42) DHFREGFRTYR
Hydrochloric Acid SCHEMBL10698643 0.92 DHFR (0.42) DHFREGFRTYR
SCHEMBL10698179 0.91 TYR (0.45) ABL1TYR
SCHEMBL9452006 0.84 CHRM2 (0.44)
SCHEMBL10697362 0.84 KDM4E (0.43) ABL1DHFREGFRTYR
SCHEMBL10696683 0.84 ABL1 (0.55) ABL1TYR
SCHEMBL10699088 0.83 MMP2 (0.52) ABL1TYR
SCHEMBL10698628 0.82 ABL1 (0.45) ABL1DHFREGFRTYR
SCHEMBL10700470 0.79 PARP1 (0.43) TYR
SCHEMBL10700464 0.79 PARP1 (0.43) TYR

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 8 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
US-4739067-A NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS, HYPOTENSIVE AGENT, HORMONE INHIBITORS WARNER-LAMBERT COMPANY (US) 1988-04-19 US 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