SCHEMBL4960581

SCHEMBL4960581

O=C(NC1CCC(O)CC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2F)C1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
EPHX2 P34913 6/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
HSD11B1 P28845 1/20 0.51
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL611926 1.00 KMT2A (0.62) KMT2AEPHX2SMN1; SMN2TDP1HSD11B1
SCHEMBL611925 1.00 KMT2A (0.62) KMT2AEPHX2SMN1; SMN2TDP1HSD11B1
SCHEMBL4960532 0.92 KMT2A (0.62) KMT2AEPHX2SMN1; SMN2TDP1HSD11B1
SCHEMBL612269 0.92 KMT2A (0.62) KMT2AEPHX2SMN1; SMN2TDP1HSD11B1
SCHEMBL612268 0.92 KMT2A (0.62) KMT2AEPHX2SMN1; SMN2TDP1HSD11B1
SCHEMBL4962004 0.90 EPHX2 (0.68) KMT2AEPHX2SMN1; SMN2TDP1HSD11B1
SCHEMBL610923 0.90 EPHX2 (0.68) KMT2AEPHX2SMN1; SMN2TDP1HSD11B1
SCHEMBL610924 0.90 EPHX2 (0.68) KMT2AEPHX2SMN1; SMN2TDP1HSD11B1
SCHEMBL610406 0.89 KMT2A (0.59) KMT2AEPHX2SMN1; SMN2TDP1HSD11B1
SCHEMBL4963982 0.89 KMT2A (0.59) KMT2AEPHX2SMN1; SMN2TDP1HSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 EP claimed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP claimed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed