SCHEMBL5500067

SCHEMBL5500067

O=C1CCCN1C1CCC(O)C(Cc2ccc(Br)cc2Cl)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
P2RX7 Q99572 6/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
BTK Q06187 1/20 0.33
F10 P00742 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL5500031 0.89 P2RX7 (0.44) KMT2AP2RX7DPP4DPP8DPP9
SCHEMBL5500075 0.86 PDCD1LG2 (0.35) KMT2AP2RX7L3MBTL1DPP4DPP8
SCHEMBL5503929 0.85 CTSS (0.36) P2RX7DPP4DPP8DPP9BTK
SCHEMBL5500736 0.82 KMT2A (0.35) KMT2AP2RX7L3MBTL1DPP4DPP8
SCHEMBL5500612 0.81 NPY5R (0.36) P2RX7DPP4DPP8DPP9F10
SCHEMBL5499959 0.80 CYP11B1 (0.38) P2RX7
SCHEMBL5504560 0.79 BTK (0.38) KMT2AP2RX7DPP4DPP8DPP9
SCHEMBL5499828 0.79 DPP4 (0.38) KMT2AP2RX7DPP4DPP8DPP9
SCHEMBL5506323 0.78 DPP4 (0.40) P2RX7DPP4DPP8DPP9F10
SCHEMBL5505679 0.78 P2RX7 (0.44) KMT2AP2RX7DPP4DPP8DPP9

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-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP disclosed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO disclosed