SCHEMBL19281133

SCHEMBL19281133

O=C1CC2(CCN(C(=O)OCc3ccccc3)CC2)Oc2cc(F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
HSD11B1 P28845 1/20 0.54
HDAC8 Q9BY41 6/20 0.51
HDAC6 Q9UBN7 6/20 0.51
HDAC3 O15379 5/20 0.51
HDAC4 P56524 5/20 0.51
HDAC1 Q13547 5/20 0.51
HDAC7 Q8WUI4 5/20 0.51
HDAC2 Q92769 5/20 0.51
HDAC10 Q969S8 5/20 0.51
HDAC11 Q96DB2 5/20 0.51
HDAC9 Q9UKV0 5/20 0.51
HDAC5 Q9UQL6 5/20 0.51
SIGMAR1 Q99720 1/20 0.49
EPHX2 P34913 1/20 0.47
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 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
SCHEMBL19281135 0.92 HSD11B1 (0.64) KMT2AHSD11B1HDAC8HDAC6HDAC3
SCHEMBL17708825 0.91 CHRNA7 (0.50) KMT2AHSD11B1HDAC8HDAC6HDAC3
SCHEMBL467592 0.87 SIGMAR1 (0.64) KMT2AHDAC8HDAC6HDAC3HDAC4
SCHEMBL31398580 0.86 HSD11B1 (0.60) KMT2AHSD11B1HDAC8HDAC6HDAC3
SCHEMBL19281126 0.83 KMT2A (0.48) KMT2AHSD11B1SIGMAR1EPHX2MEN1
SCHEMBL19030072 0.82 EPHX2 (0.49) KMT2AHSD11B1HDAC8HDAC6HDAC3
SCHEMBL31398590 0.82 HSD11B1 (0.55) KMT2AHSD11B1HDAC8HDAC6HDAC3
SCHEMBL14918958 0.81 HSD11B1 (0.59) KMT2AHSD11B1HDAC8HDAC6HDAC3
SCHEMBL31398594 0.81 HSD11B1 (0.48) KMT2AHSD11B1EPHX2MEN1NPSR1
SCHEMBL19281139 0.81 TRPM8 (0.55) KMT2ASIGMAR1MEN1NPSR1KDM4E

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-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed