SCHEMBL4277144

SCHEMBL4277144

O=C(OC(F)(F)F)N1CCCCC1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.59
HSD11B1 P28845 2/20 0.50
PRMT5 O14744 3/20 0.46
WDR77 Q9BQA1 3/20 0.46
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
BACE1 P56817 1/20 0.45
EPHX2 P34913 2/20 0.44
SCD O00767 1/20 0.43
SCD5 Q86SK9 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
SCHEMBL21616685 0.96 RIPK1 (0.65) RIPK1HSD11B1HSP90AA1HSP90AB1EPHX2
SCHEMBL24365782 0.86 RIPK1 (0.63) RIPK1HSD11B1PRMT5WDR77PARP14
SCHEMBL17114341 0.86 RIPK1 (0.63) RIPK1HSD11B1PRMT5WDR77PARP14
SCHEMBL7469150 0.86 RIPK1 (0.63) RIPK1HSD11B1PRMT5WDR77PARP14
SCHEMBL30281143 0.84 RIPK1 (0.62) RIPK1HSD11B1PRMT5WDR77PARP14
Water SCHEMBL27902502 0.84 RIPK1 (0.62) RIPK1HSD11B1PRMT5WDR77PARP14
SCHEMBL12184218 0.82 RIPK1 (0.58) RIPK1HSD11B1PRMT5WDR77PARP14
SCHEMBL28171621 0.82 RIPK1 (0.67) RIPK1HSD11B1PRMT5WDR77PARP14
SCHEMBL27672000 0.82 RIPK1 (0.58) RIPK1HSD11B1PRMT5WDR77PARP14
SCHEMBL27830000 0.82 RIPK1 (0.59) RIPK1HSD11B1PRMT5WDR77PARP14

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
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 WO disclosed