SCHEMBL5755599

SCHEMBL5755599

COc1ccc(C2CN(Cc3ccccc3)C[C@]2(C)[C@@H](C)O)cc1OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.43
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
NR1I2 O75469 1/20 0.41
RORC P51449 1/20 0.41
CHRM4 P08173 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL14611607 1.00 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL5370207 1.00 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL5370202 1.00 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL14575984 1.00 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL5355688 0.88 MAPK1 (0.47) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL5355540 0.88 MAPK1 (0.47) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL5355685 0.88 MAPK1 (0.47) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL5355537 0.88 MAPK1 (0.47) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL14611654 0.88 KMT2A (0.43) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL14575696 0.88 KMT2A (0.43) PDE4BPDE4APDE4CPDE4DKMT2A

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-1242400-B1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORP (US) 2006-05-03 EP claimed
US-6423710-B1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2002-07-23 US claimed