SCHEMBL3979540

SCHEMBL3979540

CCOC(=O)c1ccc(N2CCN(C(C)(C)C)CC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.61
OGA O60502 1/20 0.55
HRH3 Q9Y5N1 1/20 0.53
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PIK3CA P42336 1/20 0.46
LMNA P02545 2/20 0.46
SGPL1 O95470 1/20 0.46
USP30 Q70CQ3 2/20 0.44
PPARG P37231 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
SCHEMBL9210857 0.86 P2RY12 (0.65) P2RY12OGAHRH3KMT2ANPC1
SCHEMBL2820792 0.85 P2RY12 (0.64) P2RY12OGAHRH3KMT2ANPC1
SCHEMBL7529775 0.85 P2RY12 (0.64) P2RY12OGAHRH3KMT2ANPC1
SCHEMBL7469230 0.84 P2RY12 (0.63) P2RY12OGAHRH3KMT2ANPC1
SCHEMBL2428493 0.84 P2RY12 (0.72) P2RY12OGAHRH3KMT2ANPC1
SCHEMBL2427846 0.83 P2RY12 (0.62) P2RY12OGAHRH3HPGDSMN1; SMN2
SCHEMBL6584014 0.82 KMT2A (0.75) P2RY12OGAHRH3KMT2ANPC1
SCHEMBL386639 0.82 P2RY12 (0.60) P2RY12OGAHRH3KMT2ANPC1
SCHEMBL5089275 0.82 PIK3CA (0.67) P2RY12OGAHRH3KMT2ANPC1
SCHEMBL24421703 0.81 KMT2A (0.51) P2RY12OGAHRH3KMT2ANPC1

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-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed