SCHEMBL8911894

SCHEMBL8911894

COc1cccc2c(NCCN(C)C)nc(NCC3CCC(C(N)=O)CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VCP P55072 16/20 0.48
KDM1A O60341 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
SLC2A1 P11166 1/20 0.40
BCDIN3D Q7Z5W3 1/20 0.39
RAD52 P43351 1/20 0.38
SMARCA2 P51531 1/20 0.38

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
SCHEMBL8899747 0.91 VCP (0.47) VCPSLC2A1
SCHEMBL8900924 0.88 VCP (0.46) VCPKDM1AEHMT2RCOR1SLC2A1
SCHEMBL8911900 0.88 KDM1A (0.43) KDM1AEHMT2RCOR1SLC2A1
SCHEMBL8890197 0.83 PDE5A (0.48) VCPRAD52SMARCA2
SCHEMBL8891551 0.83 VCP (0.54) VCP
Hydrochloric Acid SCHEMBL8899106 0.82 VCP (0.53) VCP
SCHEMBL8890872 0.80 NPY5R (0.43) VCP
SCHEMBL8899767 0.79 PRKCQ (0.42) VCPKDM1AEHMT2RCOR1SLC2A1
SCHEMBL8889953 0.79 KDM1A (0.47) KDM1AEHMT2RCOR1SLC2A1RAD52
SCHEMBL8899135 0.78 TRIM58 (0.53) VCPKDM1AEHMT2RCOR1SLC2A1

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