SCHEMBL4961306

SCHEMBL4961306

O=C(NC1CCC(O)CC1)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
KDM4E B2RXH2 1/20 0.72
POLB P06746 1/20 0.66
HSD11B1 P28845 1/20 0.61
RAB9A P51151 2/20 0.59
TSHR P16473 2/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ADRB2 P07550 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
NPC1 O15118 1/20 0.54
ATM Q13315 1/20 0.54
KMT2A Q03164 4/20 0.53
ALOX15 P16050 1/20 0.52
MEN1 O00255 2/20 0.52
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52

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
SCHEMBL609180 1.00 ALDH1A1 (0.72) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL609181 1.00 ALDH1A1 (0.72) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL610672 0.91 KDM4E (0.59) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL610671 0.91 KDM4E (0.59) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL4962521 0.90 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL610217 0.90 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL610357 0.88 HSD11B1 (0.67) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL610358 0.88 HSD11B1 (0.67) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL613383 0.88 HSD11B1 (0.67) ALDH1A1KDM4EPOLBHSD11B1RAB9A
SCHEMBL4961030 0.88 HSD11B1 (0.67) ALDH1A1KDM4EPOLBHSD11B1RAB9A

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 6 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
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 EP 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