SCHEMBL2636787

SCHEMBL2636787

O=C(O)[C@H]1CNCC[C@@H]1Cc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SSTR4 P31391 1/20 0.42

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
SCHEMBL7441689 1.00 ALDH1A1 (0.42) ALDH1A1CASP1HSD17B10SSTR4
Hydrochloric Acid SCHEMBL7800914 0.99 ALDH1A1 (0.41) ALDH1A1CASP1HSD17B10SSTR4
SCHEMBL7448822 0.87 SSTR4 (0.44) SSTR4
SCHEMBL6057412 0.87 SSTR4 (0.44) SSTR4
SCHEMBL7800982 0.86 GBA1 (0.37)
SCHEMBL7806051 0.86 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7806075 0.82 HRH1 (0.40)
SCHEMBL7800840 0.82 GBA1 (0.35)
SCHEMBL7807670 0.79 SLC6A2 (0.51)
SCHEMBL1816822 0.78 ARG1 (0.42) ALDH1A1CASP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2568805-A1 A MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID Vivoline Medical AB (SE) 2013-03-20 EP disclosed
WO-2011142705-A1 A MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID VIVOLINE MEDICAL AB (SE) 2011-11-17 WO disclosed
WO-2010077201-A1 A COMPOSITION COMPRISING NOR-ADRENALINE AND AMPHETAMINE FOR ADMINISTERING TO A BRAIN-DEAD, HEART -BEATING POTENTIAL ORGAN DONOR IGELÖSA TRANSPLANTATION SCIENCE AB (SE) 2010-07-08 WO disclosed
WO-2010077200-A1 A COMPOSITION COMPRISING NOR-ADRENALINE AND A NET INHIBITOR FOR ADMINISTERING TO A BRAIN-DEAD, HEART-BEATING POTENTIAL ORGAN DONOR. IGELÖSA TRANSPLANTATION SCIENCE AB (SE) 2010-07-08 WO disclosed