SCHEMBL5509140

SCHEMBL5509140

CN1CCN(C(=O)c2cccc(-c3ccc(CC4CCCC(N5CCCC5=O)C4)c(Cl)c3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.43
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE1C Q14123 1/20 0.43
PDE3A Q14432 1/20 0.43
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSK P43235 1/20 0.38
CTSC P53634 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 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
Hydrochloric Acid SCHEMBL5504522 0.99 ERN1 (0.43) ERN1PDE5APDE1APDE1BPDE4D
SCHEMBL4069500 0.93 HPGD (0.42) PDE5APDE1APDE1BPDE4DPDE7A
Hydrochloric Acid SCHEMBL5500156 0.92 HPGD (0.42) PDE5APDE1APDE1BPDE4DPDE7A
Hydrochloric Acid SCHEMBL4066029 0.86 PDE1A (0.42) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL5504232 0.82 CTSS (0.36) CTSS
SCHEMBL5499827 0.80 P2RX7 (0.34) CTSS
SCHEMBL3880954 0.78 PDE5A (0.47) ERN1PDE5APDE1APDE1BPDE4D
SCHEMBL5500702 0.78 TP53BP1 (0.39) L3MBTL1ALDH1A1PIK3CA
SCHEMBL5503778 0.78 CTSS (0.35) CTSS
SCHEMBL5499996 0.78 CNR1 (0.38) KDM4E

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 claimed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO claimed