SCHEMBL4960307

SCHEMBL4960307

O=C(NC1CCCC(O)C1)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2F)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 3/20 0.53
HSD11B1 P28845 1/20 0.52
RAB9A P51151 1/20 0.51
EPHX2 P34913 4/20 0.47
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ADRB2 P07550 1/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL610748 1.00 KDM4E (0.53) KDM4EALDH1A1POLBKMT2AHSD11B1
SCHEMBL4962521 0.92 ALDH1A1 (0.64) KDM4EALDH1A1POLBKMT2AHSD11B1
SCHEMBL610217 0.92 ALDH1A1 (0.64) KDM4EALDH1A1POLBKMT2AHSD11B1
SCHEMBL4960448 0.91 KMT2A (0.59) POLBKMT2AHSD11B1RAB9AEPHX2
SCHEMBL612534 0.91 KMT2A (0.59) POLBKMT2AHSD11B1RAB9AEPHX2
SCHEMBL610671 0.89 KDM4E (0.59) KDM4EALDH1A1POLBKMT2AHSD11B1
SCHEMBL610672 0.89 KDM4E (0.59) KDM4EALDH1A1POLBKMT2AHSD11B1
SCHEMBL610353 0.89 HSD11B1 (0.65) KDM4EALDH1A1POLBKMT2AHSD11B1
SCHEMBL612160 0.89 HSD11B1 (0.65) KDM4EALDH1A1POLBKMT2AHSD11B1
SCHEMBL4963964 0.87 EPHX2 (0.62) ALDH1A1POLBKMT2AHSD11B1EPHX2

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 8 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
CN-1993128-A N-substituted piperidines and their use as pharmaceuticals INCYTE CORP (US) 2007-07-04 CN 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
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 EP disclosed
CN-1993128-A N-substituted piperidines and their use as pharmaceuticals INCYTE CORP (US) 2007-07-04 CN disclosed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP disclosed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed