SCHEMBL3467997

SCHEMBL3467997

CN1C2CCC1CC(c1cc(F)ccc1C(=O)O)C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
HTR3A P46098 6/20 0.42
SLC6A3 Q01959 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL3467999 1.00 CHRM1 (0.43) CHRM1CHRM2CHRM3SLC6A2SLC6A4
SCHEMBL1358479 0.87 DRD2 (0.47) CHRM2HTR3ACYP2D6HRH1DRD3
SCHEMBL16836614 0.80 KEAP1 (0.47)
SCHEMBL743844 0.80 POLB (0.49)
SCHEMBL16286910 0.78 CHRM1 (0.49) CHRM1CHRM2CHRM3SLC6A2SLC6A4
SCHEMBL16286908 0.78 CHRM1 (0.49) CHRM1CHRM2CHRM3SLC6A2SLC6A4
SCHEMBL7440323 0.77 HTR3A (0.45) CHRM1CHRM2CHRM3SLC6A2SLC6A4
SCHEMBL7973793 0.76 HTR3E (0.40) CHRM1CHRM2CHRM3HTR3ACYP2D6
SCHEMBL7973796 0.76 HTR3E (0.40) CHRM1CHRM2CHRM3HTR3ACYP2D6
SCHEMBL17752643 0.74 HTR3A (0.50) CHRM1CHRM2CHRM3SLC6A2SLC6A4

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-2568805-B1 A MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID XVIVO PERFUSION AB (SE) 2019-05-01 EP claimed
US-20160354359-A1 COMPOSITION COMPRISING NOR-ADRENALINE AND A NET INHIBITOR FOR ADMINISTERING TO A BRAIN-DEAD, HEART-BEATING POTENTIAL ORGAN DONOR XVIVO PERFUSION AB (SE) 2016-12-08 US claimed
EP-2568805-B1 A MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID XVIVO PERFUSION AB (SE) 2019-05-01 EP disclosed
US-10271540-B2 Medical fluid, a method of treatment and use of the fluid XVIVO PERFUSION AB (SE) 2019-04-30 US disclosed
US-20160354359-A1 COMPOSITION COMPRISING NOR-ADRENALINE AND A NET INHIBITOR FOR ADMINISTERING TO A BRAIN-DEAD, HEART-BEATING POTENTIAL ORGAN DONOR XVIVO PERFUSION AB (SE) 2016-12-08 US disclosed
US-20160338343-A1 MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID XVIVO PERFUSION AB (SE) 2016-11-24 US disclosed
US-20130065218-A1 MEDICAL FLUID, A METHOD OF TREATMENT AND USE OF THE FLUID VIVOLINE MEDICAL AB (SE) 2013-03-14 US 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