SCHEMBL22445552

SCHEMBL22445552

COc1cc2nccc(N3CCC(C(C)C)CC3)c2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.65
EHMT2 Q96KQ7 5/20 0.56
EHMT1 Q9H9B1 5/20 0.56
NPC1 O15118 1/20 0.47
PDGFRB P09619 1/20 0.47
PDE10A Q9Y233 8/20 0.45
PDE3B Q13370 8/20 0.45
PDE3A Q14432 8/20 0.45
FLT3 P36888 1/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44

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
SCHEMBL29358220 1.00 NCF1 (0.65) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22445672 0.92 NCF1 (0.57) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22445652 0.91 EHMT2 (0.59) NCF1EHMT2EHMT1PDGFRBPDE3A
SCHEMBL22445598 0.88 NCF1 (0.51) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22441515 0.87 NCF1 (0.59) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22445487 0.87 NCF1 (0.59) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22441445 0.87 NCF1 (0.59) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22441558 0.87 NCF1 (0.59) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22445606 0.86 NCF1 (0.70) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL30446792 0.85 NCF1 (0.65) NCF1EHMT2EHMT1NPC1PDGFRB

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-3941459-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Stingray Therapeutics, Inc. (US) 2022-01-26 EP disclosed
WO-2020190912-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Stingray Therapeutics, Inc. (US) 2020-09-24 WO disclosed