SCHEMBL7146783

SCHEMBL7146783

CN(C)CCN([C]=O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1401104 0.78
SCHEMBL1400993 0.74 CA12 (0.40) CA12CA9MAPT
SCHEMBL1400991 0.73 AKR1B1 (0.39) MAPT
SCHEMBL1401018 0.72
Acetic Acid SCHEMBL5526730 0.70 FFAR3 (0.50) CA12CA2CA3CA4CA6
Acetic Acid SCHEMBL27684197 0.70 FFAR3 (0.50) CA12CA2CA3CA4CA6
SCHEMBL1934253 0.69 CA12 (0.40) CA12CA2CA3CA4CA6
SCHEMBL6361884 0.69 CA12 (0.40) CA12CA2CA3CA4CA6
SCHEMBL944401 0.66
SCHEMBL6983226 0.66 CA12 (0.42) CA12CA2CA3CA4CA6

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
EP-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 EP disclosed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed