SCHEMBL7657392

SCHEMBL7657392

CCOC(=O)c1ccc(-n2ccnc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
HTT P42858 2/20 0.55
CYP3A4 P08684 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP19A1 P11511 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
PDE4A P27815 2/20 0.54
PDE4B Q07343 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
NAMPT P43490 1/20 0.54
ALDH1A1 P00352 4/20 0.52
HSP90AA1 P07900 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL366703 0.89 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL327622 0.85 PDE4A (0.54) HPGDHTTCYP3A4CYP1A2CYP2D6
SCHEMBL5868768 0.83 ALOX15 (0.52) NAMPTALDH1A1LMNASMN1; SMN2JMJD6
SCHEMBL17116879 0.82 PDE4A (0.56) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL14761514 0.82 NAMPT (0.53) HPGDHTTCYP3A4CYP1A2NAMPT
SCHEMBL7487952 0.81 PDE4A (0.48) HPGDHTTCYP3A4CYP1A2CYP2D6
SCHEMBL30831804 0.81 PDE4A (0.68) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL28100871 0.80 ALDH1A1 (0.58) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL326869 0.80 NR4A1 (0.65) HPGDCYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL6536353 0.79 HTT (0.52) HPGDHTTCYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344563-B1 SULFIDING, DEHYDROHALOGENATION, FORMATION OF BOND BETWEEN CARBON AND NITROGEN NORRIS TIMOTHY (US) 2002-02-05 US disclosed
US-6239285-B1 REACTING A TETRAHYDRO-4-(3-(4-FLUOROPHENYL)THIO)PHENYL-2H-PYRAN-4-CARBOXA MIDE WITH HETEROCYCLE RING PFIZER INC 2001-05-29 US disclosed
CN-1291609-A Method of preparing 5-lipoxidase inhibitor possessing different heterocyclic ring system PFIZER PROD INC (US) 2001-04-18 CN disclosed
EP-1081143-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
EP-1081144-A2 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
EP-1081146-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
CN-1286250-A Method for preparing 5-lipooxygenase inhibitor having changeable heterocycle system PFIZER PROD INC (US) 2001-03-07 CN disclosed
EP-0787127-B1 5-LIPOXYGENASE INHIBITORS PFIZER (US) 2001-01-03 EP disclosed
US-6063928-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, CARDIOTONIC AGENTS PFIZER INC (US) 2000-05-16 US disclosed
US-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed
US-5753682-A Imidazole lipoxygenase inhibitors PFIZER INC. (US) 1998-05-19 US disclosed
EP-0787127-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1997-08-06 EP disclosed
EP-0703913-B1 IMIDAZOLES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-06-11 EP disclosed
WO-1996011911-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-04-25 WO disclosed
EP-0703913-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER (US) 1996-04-03 EP disclosed
WO-1994029299-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-12-22 WO disclosed