SCHEMBL8901456

SCHEMBL8901456

CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 1.00
KDM1A O60341 2/20 0.65
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MERTK Q12866 2/20 0.57
SLC2A1 P11166 1/20 0.55
POLB P06746 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52

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
Hydrochloric Acid SCHEMBL8901155 0.99 NPY5R (0.97) NPY5RKDM1AHTTSMN1; SMN2ALDH1A1
SCHEMBL8899244 0.90 NPY5R (0.81) NPY5RKDM1AHTTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8890062 0.90 NPY5R (0.80) NPY5RKDM1AHTTSMN1; SMN2ALDH1A1
SCHEMBL27223383 0.90 NPY5R (0.80) NPY5RKDM1AHTTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8900333 0.89 NPY5R (0.80) NPY5RKDM1AHTTSMN1; SMN2ALDH1A1
SCHEMBL8891379 0.88 NPY5R (0.78) NPY5RHTTSMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL8907212 0.87 NPY5R (0.76) NPY5RHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL8908702 0.85 NPY5R (0.74) NPY5RKDM1A
Hydrochloric Acid SCHEMBL8900394 0.84 NPY5R (0.72) NPY5RKDM1ASLC2A1
SCHEMBL2591063 0.83 NPY5R (1.00) NPY5RHTTSMN1; SMN2MERTKSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO claimed