SCHEMBL7315671

SCHEMBL7315671

CS(=O)(=O)OCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.42
HPN P05981 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
HGFAC Q04756 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F2 P00734 1/20 0.42
CCR3 P51677 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL7313926 0.90 ACHE (0.51)
SCHEMBL7315459 0.88 MAPK1 (0.46)
SCHEMBL7311493 0.88 MAPK1 (0.45)
SCHEMBL7305380 0.85 MAPK1 (0.46) RECQLSMN1; SMN2SIGMAR1
SCHEMBL7307020 0.84 MAPK1 (0.35)
SCHEMBL7310668 0.84 MAPK1 (0.49) CCR3
SCHEMBL7308886 0.84 MAPK1 (0.49) CCR3DRD2DRD4
SCHEMBL8858143 0.84 HTR2B (0.37) F10HPNPRSS1PRSS2PRSS3
SCHEMBL7310189 0.83 RECQL (0.48) RECQLSMN1; SMN2DRD2DRD4HTR2A
SCHEMBL8858154 0.83 LMNA (0.38) DRD2DRD4HTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed