SCHEMBL5505772

SCHEMBL5505772

CC1C(Cc2ccc(Br)cc2Cl)CCCC1N1CCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX7 Q99572 7/20 0.32
HPGD P15428 1/20 0.32
PDE2A O00408 1/20 0.32
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL5500515 0.89 P2RX7 (0.42) KMT2ASMN1; SMN2P2RX7LMNA
SCHEMBL5500083 0.83 HCRTR1 (0.33) P2RX7
Hydrochloric Acid SCHEMBL5505760 0.82 HCRTR1 (0.33)
SCHEMBL5509665 0.80 CYP11B1 (0.38)
SCHEMBL5500075 0.77 PDCD1LG2 (0.35) KMT2AL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5500736 0.77 KMT2A (0.35) KMT2AL3MBTL1SMN1; SMN2P2RX7HPGD
SCHEMBL5500067 0.77 KMT2A (0.36) KMT2AL3MBTL1SMN1; SMN2P2RX7
SCHEMBL5500662 0.76 F10 (0.33) KMT2AALDH1A1
SCHEMBL5500660 0.76 F10 (0.33) KMT2AALDH1A1
SCHEMBL5501290 0.76 KMT2A (0.43) KMT2ASMN1; SMN2P2RX7LMNA

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