SCHEMBL8901212

SCHEMBL8901212

COc1cccc2nc(NCC3CCC(C(N)=O)CC3)nc(N)c12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCP P55072 18/20 0.54
DCPS Q96C86 1/20 0.46
ALDH1A1 P00352 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPY1R P25929 1/20 0.43
AQP1 P29972 1/20 0.43
NPY2R P49146 1/20 0.43
NPY4R P50391 1/20 0.43
NPY5R Q15761 1/20 0.43
MCHR1 Q99705 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL8891976 0.86 VCP (0.52) VCP
SCHEMBL8901221 0.86 DCPS (0.51) VCPDCPSALDH1A1ADRA2AMAPT
SCHEMBL8891551 0.84 VCP (0.54) VCPALDH1A1ADRA2AMAPTHPGD
Hydrochloric Acid SCHEMBL8899106 0.84 VCP (0.53) VCPALDH1A1ADRA2AMAPTHPGD
SCHEMBL2636279 0.80 NPY5R (0.61) VCPALDH1A1ADRA2AMAPTHPGD
Hydrochloric Acid SCHEMBL2675355 0.79 NPY5R (0.60) VCPALDH1A1ADRA2AMAPTHPGD
SCHEMBL8900961 0.78 VCP (0.56) VCPNPY5R
SCHEMBL8900056 0.77 VCP (0.46) VCPALDH1A1ADRA2AMAPTHPGD
SCHEMBL8898270 0.74 VCP (0.54) VCPNPY5R
SCHEMBL8892672 0.74 NPY5R (0.56) VCPALDH1A1ADRA2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO claimed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed