SCHEMBL4040451

SCHEMBL4040451

CCCC(NC(=O)Oc1ccsc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.41
PREP P48147 4/20 0.37
FAP Q12884 4/20 0.37
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
TGM2 P21980 1/20 0.33
PDE5A O76074 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE3A Q14432 1/20 0.32
ELANE P08246 1/20 0.31
MC4R P32245 1/20 0.31
MC3R P41968 1/20 0.31
MC1R Q01726 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30

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
SCHEMBL4049243 0.93 CTSK (0.44) CTSKCTSLCTSSTGM2ELANE
SCHEMBL4042251 0.92 CTSK (0.50) CTSKCTSLCTSSMEN1KMT2A
SCHEMBL4045843 0.89 CTSK (0.43) CTSKPREPFAPCTSLCTSS
SCHEMBL4045942 0.89 CTSK (0.41) CTSKPREPFAPCTSLCTSS
SCHEMBL4041473 0.88 CTSS (0.41) CTSKPREPFAPCTSLCTSS
SCHEMBL4043597 0.88 CTSK (0.41) CTSKPREPFAPCTSLCTSS
SCHEMBL4044691 0.88 PREP (0.35) CTSKPREPFAPELANEMC4R
SCHEMBL4049845 0.87 CTSK (0.40) CTSKPREPFAPCTSLCTSS
SCHEMBL4046503 0.86 CTSL (0.37) CTSKPREPFAPCTSLCTSS
SCHEMBL4049188 0.85 CTSK (0.40) CTSKPREPFAPCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP disclosed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 WO disclosed