SCHEMBL2569655

SCHEMBL2569655

CC(=O)NC[C@@H](N)C(=O)Nc1ccc2c(c1)CCN(C)CC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ROCK2 O75116 5/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
POLB P06746 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL2569706 0.85 NPC1 (0.50) HTTSMN1; SMN2NPC1RAB9AROCK2
SCHEMBL2565731 0.85 POLB (0.45) HPGDALOX15HTTMAPK1SMN1; SMN2
SCHEMBL2571876 0.82 ROCK2 (0.48) ALDH1A1KMT2ANPC1RAB9AROCK2
SCHEMBL2578923 0.82 KDM4E (0.40) HPGDALOX15HTTMAPK1SMN1; SMN2
SCHEMBL2570332 0.82 KDM4E (0.47) HPGDALOX15HTTMAPK1SMN1; SMN2
SCHEMBL2567442 0.81 HDAC8 (0.47) SMN1; SMN2NPC1RAB9AROCK2HDAC8
SCHEMBL2573167 0.81 ALOX15 (0.44) HPGDALOX15HTTMAPK1SMN1; SMN2
SCHEMBL2567550 0.80 POLB (0.46) HPGDALOX15HTTMAPK1SMN1; SMN2
SCHEMBL2563694 0.80 ALOX15 (0.43) HPGDALOX15HTTMAPK1SMN1; SMN2
SCHEMBL2570020 0.80 KDM4E (0.48) HPGDALOX15HTTMAPK1KDM4E

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