SCHEMBL8944741

SCHEMBL8944741

COc1cc(CN2CCN(C)CC2C2=NCCN2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
POLB P06746 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
CA9 Q16790 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
SCHEMBL8944530 0.82 ALDH1A1 (0.46) KDM4EMEN1KMT2AALDH1A1ADRA2A
SCHEMBL8944697 0.81 HTR1B (0.49) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL8944556 0.80 GAA (0.45) KDM4EKMT2AALDH1A1SMN1; SMN2ADRA2A
SCHEMBL8944813 0.79 NISCH (0.47) NISCH
SCHEMBL8944702 0.78 NISCH (0.42) NISCH
SCHEMBL8944625 0.73 NISCH (0.41) NISCH
SCHEMBL8944498 0.72 TAAR1 (0.42) NISCH
SCHEMBL8944628 0.72 ADRA2A (0.41) MEN1KMT2AALDH1A1SMN1; SMN2ADRA2A
SCHEMBL2387265 0.72 KDM4E (0.44) KDM4EALDH1A1TDP1POLBNISCH
SCHEMBL8944755 0.71 LMNA (0.40) KMT2ANISCH

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