SCHEMBL7984683

SCHEMBL7984683

Oc1nc(-c2cccc(F)c2)nc2ncn(CCc3ccccc3)c12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 6/20 0.37
HTT P42858 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
FAAH O00519 1/20 0.36
CASR P41180 1/20 0.36
DPP4 P27487 1/20 0.35
PKM P14618 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL7974291 0.94 CNOT7 (0.39) CNOT7ADORA2AADORA1FAAHDPP4
SCHEMBL7984406 0.89 CASR (0.43) CNOT7HTTADORA2AADORA1ALDH1A1
SCHEMBL7987253 0.89 HPGDS (0.40) ADORA2AADORA1ALDH1A1ADORA3
SCHEMBL7974615 0.89 ADORA2A (0.44) CNOT7HTTADORA2AADORA1ALDH1A1
SCHEMBL7973871 0.88 ADORA3 (0.40) CNOT7HTTADORA2AADORA1ALDH1A1
SCHEMBL7988551 0.87 ADORA3 (0.43) CNOT7HTTADORA2AADORA1ALDH1A1
SCHEMBL7988583 0.87 ALDH1A1 (0.41) CNOT7HTTADORA2AADORA1ALDH1A1
SCHEMBL7991669 0.85 HDAC1 (0.38)
SCHEMBL7985791 0.84 CYP11B1 (0.40) ADORA2AALDH1A1ADORA3
SCHEMBL7989009 0.84 GAA (0.47) ADORA2AADORA1ALDH1A1ADORA3

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed