SCHEMBL5316205

SCHEMBL5316205

O=C(Oc1ccc(-c2ccccc2)cc1)C1CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.70
KMT2A Q03164 7/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HTT P42858 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
POLB P06746 1/20 0.59
FABP7 O15540 1/20 0.59
FABP3 P05413 1/20 0.59
FABP5 Q01469 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.54
MEN1 O00255 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
F2 P00734 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL3166260 0.91 ELANE (0.72) ELANEKMT2ASMN1; SMN2HTTTDP1
SCHEMBL12370828 0.88 ELANE (0.73) ELANEKMT2ASMN1; SMN2HTTTDP1
SCHEMBL3079124 0.88 ELANE (0.73) ELANEKMT2ASMN1; SMN2HTTTDP1
SCHEMBL3193624 0.88 ELANE (0.73) ELANEKMT2ASMN1; SMN2HTTTDP1
SCHEMBL12642500 0.88 ELANE (0.73) ELANEKMT2ASMN1; SMN2HTTTDP1
SCHEMBL525974 0.88 ELANE (0.73) ELANEKMT2ASMN1; SMN2HTTTDP1
Hydrochloric Acid SCHEMBL3866426 0.86 ELANE (0.71) ELANEKMT2ASMN1; SMN2HTTTDP1
SCHEMBL11823665 0.86 KMT2A (0.83) ELANEKMT2ASMN1; SMN2HTTTDP1
SCHEMBL27676346 0.85 ELANE (0.70) ELANEKMT2ASMN1; SMN2HTTTDP1
SCHEMBL21185911 0.84 HTT (0.61) ELANEKMT2ASMN1; SMN2HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100475813-C 4-oxo-1- (3-substituted phenyl) -1, 4-dihydro-1, 8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2009-04-08 CN claimed
EP-1633306-A4 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO INC (US) 2007-05-16 EP claimed
EP-1633306-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS Merck & Co., Inc. (US) 2006-03-15 EP claimed
CN-1738819-A 4-oxo-1- (3-substituted phenyl) -1, 4-dihydro-1, 8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2006-02-22 CN claimed
WO-2004105698-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-12-09 WO claimed
CN-103596566-A Polycyclic LPA1 antagonists and uses thereof AMIRA PHARMACEUTICALS INC 2014-02-19 CN disclosed
CN-102459204-A Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS INC 2012-05-16 CN disclosed
CN-100475813-C 4-oxo-1- (3-substituted phenyl) -1, 4-dihydro-1, 8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2009-04-08 CN disclosed
CN-1738819-A 4-oxo-1- (3-substituted phenyl) -1, 4-dihydro-1, 8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2006-02-22 CN disclosed
EP-1565464-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2005-08-24 EP disclosed
WO-2004048374-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO disclosed