SCHEMBL17226597

SCHEMBL17226597

CC1(C)C2CCC1(C)C(NC(=O)c1cnn(CCC3CCNCC3)c1OCC1CCCCC1)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 11/20 0.44
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
EPHX2 P34913 2/20 0.36

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
SCHEMBL13767017 0.90 CPB2 (0.41) CPB2THRBMEN1HTTKMT2A
SCHEMBL13767026 0.90 CPB2 (0.41) CPB2THRBMEN1HTTKMT2A
SCHEMBL13767025 0.86 CPB2 (0.42) CPB2THRBMEN1HTTKMT2A
SCHEMBL13767024 0.86 CPB2 (0.42) CPB2THRBMEN1HTTKMT2A
SCHEMBL13767023 0.86 CPB2 (0.42) CPB2THRBMEN1HTTKMT2A
SCHEMBL13767015 0.81 HSD11B1 (0.40) HTTCNR2CNR1
SCHEMBL13767016 0.81 PLAT (0.36)
SCHEMBL13772137 0.76 JAK2 (0.34) SMN1; SMN2CNR2CNR1
SCHEMBL13766992 0.72 HSD11B1 (0.39) HTTCNR2CNR1
SCHEMBL13766746 0.72 HSD11B1 (0.40) HTTCNR2CNR1

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-1953145-B1 HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO (JP) 2015-11-04 EP disclosed