SCHEMBL8944530

SCHEMBL8944530

COc1cccc(CN2CCN(C)CC2C2=NCCN2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 7/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8944556 0.91 GAA (0.45) ALDH1A1KDM4EKMT2AADRA2AADRA1D
SCHEMBL8944741 0.82 KDM4E (0.39) ALDH1A1KDM4EMEN1KMT2AADRA2A
SCHEMBL8944628 0.81 ADRA2A (0.41) ALDH1A1LMNAMEN1KMT2AADRA2A
SCHEMBL8944902 0.80 CYP2A13 (0.39) ALDH1A1KDM4ENISCH
SCHEMBL8944681 0.80 MAPK1 (0.43) ALDH1A1KDM4EKMT2ANISCHMAPT
SCHEMBL8944755 0.80 LMNA (0.40) LMNAKMT2ANISCH
SCHEMBL8944697 0.78 HTR1B (0.49) ALDH1A1KDM4EMEN1KMT2ANISCH
SCHEMBL8944841 0.77 KDM4E (0.45) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL8944813 0.77 NISCH (0.47) NISCH
SCHEMBL8944498 0.76 TAAR1 (0.42) NISCH

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-5500426-A ADMINISTERED TO IMPROVE GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-03-19 US disclosed
US-5492912-A IMPROVES GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-02-20 US disclosed