SCHEMBL16388498

SCHEMBL16388498

CCc1cccc2c1OCCN2c1ncc(Oc2cccc(N3CCOC[C@H]3C)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.37
LRRK2 Q5S007 1/20 0.35
GABRA1 P14867 1/20 0.35
DRD4 P21917 1/20 0.35
PIK3C3 Q8NEB9 7/20 0.34
PIK3CA P42336 7/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 4/20 0.34
IDH1 O75874 1/20 0.34

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
SCHEMBL16388793 0.88 PIK3CA (0.37) MTORPIK3CAPIK3CDPIK3R1
SCHEMBL2599607 0.76 PDE4B (0.39) MTORPIK3C3PIK3CAPIK3CDPIK3R1
SCHEMBL2599671 0.76 PDE4B (0.39) MTORPIK3C3PIK3CAPIK3CDPIK3R1
SCHEMBL2599605 0.76 PDE4B (0.39) MTORPIK3C3PIK3CAPIK3CDPIK3R1
SCHEMBL2599601 0.76 PIK3C3 (0.43) MTORPIK3C3PIK3CAPIK3CD
SCHEMBL2599606 0.76 PIK3C3 (0.43) MTORPIK3C3PIK3CAPIK3CD
SCHEMBL2599602 0.76 PIK3C3 (0.43) MTORPIK3C3PIK3CAPIK3CD
SCHEMBL2599623 0.74 DHFR (0.40) MTORPIK3CA
SCHEMBL16332713 0.73 CYP17A1 (0.34) PIK3CDIDH1
SCHEMBL2599661 0.71 PIK3CA (0.44) MTORPIK3C3PIK3CAPIK3R1

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
EP-2571872-B1 COMPOUNDS TREHERNE JOHNATHAN MARK (GB) 2014-12-31 EP disclosed