SCHEMBL17074591

SCHEMBL17074591

CC(=O)C[C@H]1CC[C@H](N2CCC3(CCCN(c4ccc(C(F)(F)F)cc4)C3)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
EBP Q15125 3/20 0.40
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
PTGES O14684 2/20 0.39
FFAR4 Q5NUL3 7/20 0.38
NOTUM Q6P988 1/20 0.36
HTR7 P34969 1/20 0.36
EPHX2 P34913 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
KCNH2 Q12809 2/20 0.35

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
SCHEMBL17074592 1.00 HSD11B1 (0.41) HSD11B1EBPFPR1FPR2PTGES
SCHEMBL549281 0.86 HSD11B1 (0.43) HSD11B1EBPFPR1FPR2NOTUM
SCHEMBL549280 0.86 HSD11B1 (0.43) HSD11B1EBPFPR1FPR2NOTUM
SCHEMBL17082140 0.84 HSD11B1 (0.41) HSD11B1EBPFPR1FPR2PTGES
SCHEMBL550443 0.84 HSD11B1 (0.41) HSD11B1EBPFPR1FPR2PTGES
SCHEMBL4570105 0.84 HSD11B1 (0.41) HSD11B1EBPFPR1FPR2PTGES
SCHEMBL550444 0.84 HSD11B1 (0.41) HSD11B1EBPFPR1FPR2PTGES
SCHEMBL550496 0.81 HSD11B1 (0.41) HSD11B1EBPFPR1FPR2NOTUM
SCHEMBL17082135 0.81 HSD11B1 (0.41) HSD11B1EBPFPR1FPR2NOTUM
SCHEMBL550786 0.76 AKR1C3 (0.48) HSD11B1EBPFPR1FPR2NOTUM

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
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP claimed