SCHEMBL2567550

SCHEMBL2567550

CCOCC(N)C(=O)Nc1ccc2c(c1)CCN(C)CC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2570332 0.88 KDM4E (0.47) POLBRAB9ANPC1HPGDALOX15
SCHEMBL2563694 0.86 ALOX15 (0.43) RAB9AHPGDALOX15HTTMAPK1
SCHEMBL2567223 0.86 HRH3 (0.47) RAB9ANPC1ALDH1A1
SCHEMBL2570020 0.81 KDM4E (0.48) POLBRAB9ANPC1HPGDALOX15
SCHEMBL2573167 0.80 ALOX15 (0.44) POLBRAB9ANPC1HPGDALOX15
SCHEMBL2569655 0.80 HPGD (0.41) POLBRAB9ANPC1HPGDALOX15
SCHEMBL2571876 0.79 ROCK2 (0.48) POLBRAB9ANPC1ALDH1A1MEN1
SCHEMBL2567442 0.78 HDAC8 (0.47) RAB9ANPC1SMN1; SMN2GAA
SCHEMBL2572285 0.78 NPC1 (0.50) POLBRAB9ANPC1ALDH1A1MEN1
SCHEMBL2568475 0.78 SLC1A3 (0.46) RAB9ANPC1ALDH1A1

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-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP claimed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP claimed