SCHEMBL7247256

SCHEMBL7247256

CCC(=O)NCC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.55
GLS O94925 2/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM1A O60341 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
NAMPT P43490 1/20 0.46
HTR6 P50406 5/20 0.44
BCHE P06276 4/20 0.44
CYP2C9 P11712 1/20 0.43
SCN9A Q15858 1/20 0.43
BACE1 P56817 2/20 0.43
CTSD P07339 1/20 0.43
METTL3 Q86U44 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6171902 0.89 ACKR3 (0.54) ACKR3GLSMEN1ALDH1A1MAPT
SCHEMBL3002618 0.87 ACKR3 (0.57) ACKR3GLSMEN1ALDH1A1MAPT
SCHEMBL4013908 0.87 ACKR3 (0.60) ACKR3GLSMEN1ALDH1A1MAPT
SCHEMBL3002627 0.87 ACKR3 (0.57) ACKR3GLSMEN1ALDH1A1MAPT
SCHEMBL4014855 0.87 ACKR3 (0.60) ACKR3GLSMEN1ALDH1A1MAPT
SCHEMBL4013905 0.87 ACKR3 (0.60) ACKR3GLSMEN1ALDH1A1MAPT
SCHEMBL17207589 0.87 ACKR3 (0.57) ACKR3GLSMEN1ALDH1A1MAPT
SCHEMBL21509083 0.85 MEN1 (0.62) ACKR3GLSMEN1ALDH1A1MAPT
SCHEMBL21509034 0.85 MEN1 (0.62) ACKR3GLSMEN1ALDH1A1MAPT
SCHEMBL18768306 0.85 ACKR3 (0.53) ACKR3GLSMEN1ALDH1A1MAPT

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-7354919-B2 Isoxazole compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-08 US disclosed
US-6635661-B2 Piperidinyl amide compounds SEPRACOR INC. 2003-10-21 US disclosed