SCHEMBL4556735

SCHEMBL4556735

O=C(NC1C2CC3CC1CC(CO)(C3)C2)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.55
HSD11B1 P28845 8/20 0.53
HSD11B2 P80365 2/20 0.50
KMT2A Q03164 1/20 0.49
FAAH O00519 1/20 0.48
IDO1 P14902 1/20 0.45
ESR1 P03372 1/20 0.45
CYP2C9 P11712 1/20 0.45
ESR2 Q92731 1/20 0.45
EPHX2 P34913 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
EPHX1 P07099 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
SCHEMBL19808553 0.87 P2RX7 (0.50) P2RX7HSD11B1HSD11B2KMT2AFAAH
SCHEMBL3773962 0.86 NPC1 (0.54) P2RX7HSD11B1HSD11B2KMT2AFAAH
SCHEMBL1675970 0.82 HSD11B1 (0.57) HSD11B1KMT2AFAAHEPHX2
SCHEMBL16530082 0.82 HSD11B1 (0.57) HSD11B1KMT2AFAAHEPHX2
SCHEMBL13018717 0.81 HSD11B1 (0.44) P2RX7HSD11B1HSD11B2
SCHEMBL9948611 0.79 HSD11B1 (0.49) HSD11B1HSD11B2ESR1CYP2C9ESR2
SCHEMBL1675682 0.78 KMT2A (0.74) HSD11B1KMT2AFAAHEPHX2
SCHEMBL3773939 0.77 HSD11B1 (0.45) P2RX7HSD11B1HSD11B2KMT2AFAAH
SCHEMBL2024608 0.77 NR1H4 (0.47) HSD11B1HSD11B2KMT2AFAAH
SCHEMBL3781481 0.76 FAAH (0.43) P2RX7HSD11B1HSD11B2KMT2AFAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129652-A2 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE High Point Pharmaceuticals, LLC (US) 2009-12-09 EP disclosed
WO-2008101907-A2 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC (GB) 2008-08-28 WO disclosed