SCHEMBL5500075

SCHEMBL5500075

COC1CCC(N2CCCC2=O)CC1Cc1ccc(Br)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX7 Q99572 4/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.31
OPRL1 P41146 1/20 0.31
POLB P06746 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
SCHEMBL5505968 0.90 P2RX7 (0.41) PDCD1LG2CD274KMT2AP2RX7DPP4
SCHEMBL5500067 0.86 KMT2A (0.36) PDCD1LG2CD274L3MBTL1KMT2AP2RX7
SCHEMBL5500736 0.80 KMT2A (0.35) PDCD1LG2CD274L3MBTL1KMT2AP2RX7
SCHEMBL5505772 0.77 KMT2A (0.35) L3MBTL1KMT2AALDH1A1P2RX7HPGD
SCHEMBL5499828 0.77 DPP4 (0.38) KMT2AP2RX7DPP4DPP8DPP9
SCHEMBL4130462 0.76 DPP4 (0.38) L3MBTL1KMT2AP2RX7DPP4DPP8
SCHEMBL5500031 0.75 P2RX7 (0.44) KMT2AP2RX7DPP4DPP8DPP9
SCHEMBL5505217 0.74 P2RX7 (0.37) KMT2AP2RX7
SCHEMBL5505679 0.74 P2RX7 (0.44) KMT2AP2RX7DPP4DPP8DPP9
SCHEMBL4067724 0.74 HRH3 (0.39)

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