SCHEMBL2573167

SCHEMBL2573167

CN1CCc2ccc(NC(=O)[C@H](N)CCC(N)=O)cc2CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ROCK2 O75116 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CHEK1 O14757 1/20 0.39
TMPRSS2 O15393 2/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
POLB P06746 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
SCHEMBL2570020 0.85 KDM4E (0.48) ALOX15HPGDHTTKMT2AMAPK1
SCHEMBL2570332 0.82 KDM4E (0.47) ALOX15HPGDHTTSMN1; SMN2KMT2A
SCHEMBL2569655 0.81 HPGD (0.41) ALOX15HPGDHTTSMN1; SMN2KMT2A
SCHEMBL2571876 0.80 ROCK2 (0.48) KMT2ATP53ALDH1A1ROCK2NPC1
SCHEMBL2567550 0.80 POLB (0.46) ALOX15HPGDHTTSMN1; SMN2KMT2A
SCHEMBL2563694 0.80 ALOX15 (0.43) ALOX15HPGDHTTSMN1; SMN2KMT2A
SCHEMBL2567442 0.79 HDAC8 (0.47) SMN1; SMN2ROCK2NPC1RAB9A
SCHEMBL2565731 0.79 POLB (0.45) ALOX15HPGDHTTSMN1; SMN2KMT2A
SCHEMBL2568475 0.79 SLC1A3 (0.46) ALDH1A1ROCK2NPC1RAB9ATMPRSS2
SCHEMBL2567446 0.78 AAK1 (0.49) ALOX15HPGDHTTSMN1; SMN2KMT2A

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 1 patent. 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