SCHEMBL1119035

SCHEMBL1119035

O=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)C1Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 1.00
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
NR1I2 O75469 1/20 0.60
AHR P35869 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAPT P10636 1/20 0.59
USP30 Q70CQ3 1/20 0.49

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
SCHEMBL6990465 0.90 NPY5R (0.95) NPY5RNPC1RAB9AMAPTUSP30
SCHEMBL6992742 0.88 NPY5R (1.00) NPY5RNPC1RAB9ANR1I2AHR
SCHEMBL6998436 0.88 NPY5R (0.79) NPY5RNPC1RAB9ANR1I2AHR
SCHEMBL6992743 0.88 NPY5R (1.00) NPY5RNPC1RAB9AUSP30
SCHEMBL6996416 0.88 NPY5R (0.82) NPY5RNPC1RAB9AUSP30
SCHEMBL6993101 0.87 NPY5R (0.84) NPY5RNPC1RAB9AUSP30
SCHEMBL7000363 0.86 NPY5R (1.00) NPY5R
SCHEMBL6999770 0.85 NPY5R (0.77) NPY5RNPC1RAB9AUSP30
SCHEMBL6998964 0.85 NPY5R (0.78) NPY5RNPC1RAB9AUSP30
SCHEMBL7000276 0.85 NPY5R (0.78) NPY5RNPC1RAB9AUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110060037-A1 USE OF NPY Y5 RECEPTOR ANTAGONISTS FOR THE PREVENTION OF PSYCHO-STIMULANT AND OPIOID ABUSE UNIVERSITY OF COPENHAGEN (DK) 2011-03-10 US claimed
EP-2280703-A1 USE OF NPY Y5 RECEPTOR ANTAGONISTS FOR THE PREVENTION OF PSYCHOSTIMULANT AND OPIOID ABUSE Københavns Universitet (University Of Copenhagen) (DK) 2011-02-09 EP claimed
WO-2009112033-A1 USE OF NPY Y5 RECEPTOR ANTAGONISTS FOR THE PREVENTION OF PSYCHOSTIMULANT AND OPIOID ABUSE KØBENHAVNS UNIVERSITET (UNIVERSITY OF COPENHAGEN) (DK) 2009-09-17 WO claimed
US-20110060037-A1 USE OF NPY Y5 RECEPTOR ANTAGONISTS FOR THE PREVENTION OF PSYCHO-STIMULANT AND OPIOID ABUSE UNIVERSITY OF COPENHAGEN (DK) 2011-03-10 US disclosed
EP-2280703-A1 USE OF NPY Y5 RECEPTOR ANTAGONISTS FOR THE PREVENTION OF PSYCHOSTIMULANT AND OPIOID ABUSE Københavns Universitet (University Of Copenhagen) (DK) 2011-02-09 EP disclosed
WO-2009112033-A1 USE OF NPY Y5 RECEPTOR ANTAGONISTS FOR THE PREVENTION OF PSYCHOSTIMULANT AND OPIOID ABUSE KØBENHAVNS UNIVERSITET (UNIVERSITY OF COPENHAGEN) (DK) 2009-09-17 WO disclosed