SCHEMBL6546287

SCHEMBL6546287

CCn1cc(C(=O)NC2CCCCC2)c(=O)c2cnc(N3CCCC3)nc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.70
CASP1 P29466 1/20 0.70
PDE4A P27815 2/20 0.65
PDE4B Q07343 2/20 0.65
PDE4C Q08493 2/20 0.65
PDE4D Q08499 2/20 0.65
ALDH1A1 P00352 3/20 0.65
POLB P06746 1/20 0.65
KDM4E B2RXH2 5/20 0.53
MAPK1 P28482 3/20 0.53
CNR1 P21554 2/20 0.52
CNR2 P34972 2/20 0.52
CYP2C9 P11712 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ENPP2 Q13822 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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 SCHEMBL6546736 0.99 LMNA (0.68) LMNACASP1PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7417810 0.99 LMNA (0.68) LMNACASP1PDE4APDE4BPDE4C
SCHEMBL6546470 0.87 LMNA (0.65) LMNACASP1PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL6547868 0.86 LMNA (0.64) LMNACASP1PDE4APDE4BPDE4C
SCHEMBL7423316 0.85 PDE4A (0.63) LMNACASP1PDE4APDE4BPDE4C
SCHEMBL8236893 0.85 LMNA (0.83) LMNACASP1PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL6546721 0.84 PDE4A (0.62) LMNACASP1PDE4APDE4BPDE4C
SCHEMBL26193584 0.84 LMNA (0.98) LMNACASP1PDE4APDE4BPDE4C
Piromidic Acid SCHEMBL29479929 0.82 LMNA (1.00) LMNACASP1PDE4APDE4BPDE4C
Piromidic Acid SCHEMBL134848 0.82 LMNA (1.00) LMNACASP1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841927-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2004-01-28 EP claimed
EP-0841927-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2004-01-28 EP disclosed
EP-0841927-A1 QUINOLONES AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-05-20 EP disclosed
WO-1997004775-A1 QUINOLONES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1997-02-13 WO disclosed