SCHEMBL7267642

SCHEMBL7267642

CC1(C)C=C(n2cc(N)ccc2=O)c2cc(C#N)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MALT1 Q9UDY8 1/20 0.33
ABCB1 P08183 8/20 0.33
ABCC9 O60706 5/20 0.32
CASP3 P42574 1/20 0.32
ABCC8 Q09428 2/20 0.32
KCNJ11 Q14654 2/20 0.32
KCNJ8 Q15842 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
BACE1 P56817 2/20 0.31
CTSD P07339 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL8084447 0.87 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL7267833 0.87 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL8085320 0.85 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL9300325 0.84 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL7266970 0.84 ABCC9 (0.41) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL8084413 0.84 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL8077161 0.84 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9299235 0.84 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL8084279 0.84 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL9603012 0.83 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0346724-A1 Chroman derivates MERCK PATENT GmbH (DE) 1989-12-20 EP disclosed
EP-0273262-A2 Chroman derivatives MERCK PATENT GmbH (DE) 1988-07-06 EP disclosed