SCHEMBL6158787

SCHEMBL6158787

CCOC(=O)C1(N2CCCCC2=O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 8/20 0.53
MEN1 O00255 6/20 0.53
POLB P06746 3/20 0.53
ALDH1A1 P00352 6/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
GAA P10253 3/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
OPRM1 P35372 2/20 0.50
OPRD1 P41143 2/20 0.50
P4HB P07237 1/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
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
SCHEMBL4610609 0.97 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL6951672 0.84 ALDH1A1 (0.48) CYP2C9CYP2C19KMT2AMEN1POLB
SCHEMBL11843340 0.84 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL10500107 0.79 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL4610586 0.79 TSHR (0.49) CYP3A4CYP2D6POLBALDH1A1OPRM1
SCHEMBL6159676 0.78 L3MBTL1 (0.51) CYP3A4CYP2D6CYP2C19LMNAPOLB
SCHEMBL2817086 0.77 CYP2D6 (0.67) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL16102788 0.77 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL6159606 0.77 OPRM1 (0.42) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL6159601 0.77 ALDH1A1 (0.36) KMT2AMEN1POLBALDH1A1L3MBTL1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP disclosed
EP-0680962-B1 Heterocyclic compounds ASTRAZENECA AB (SE) 2003-08-20 EP disclosed
EP-0734383-B1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ASTRAZENECA AB (SE) 2002-07-24 EP disclosed
US-6355695-B1 ANTIHISTAMINES; ASTHMA THERAPY ZENECA LIMITED (SE) 2002-03-12 US disclosed
US-6235757-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2001-05-22 US disclosed
US-6051580-A Substituted heterocycles ZENECA LIMITED 2000-04-18 US disclosed
EP-0726893-B1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5965576-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1999-10-12 US disclosed
US-5889024-A Substituted heterocycles ZENECA LIMITED (GB) 1999-03-30 US disclosed
US-5739149-A TREATING ASTHMA ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5677317-A Lactam compounds which are useful in the treatment of asthma ZENECA LIMITED (GB) 1997-10-14 US disclosed
US-5635509-A ASTHMA; BRONCHODILATOR AGENTS; VASODILATION MICROVASCULAR PERMEABILITY; MAST CELLS ZENECA LIMITED (GB) 1997-06-03 US disclosed
US-5589489-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1996-12-31 US disclosed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP disclosed
EP-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 EP disclosed
EP-0726893-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1996-08-21 EP disclosed
US-5534525-A Lactam derivatives ZENECA LIMITED (GB) 1996-07-09 US disclosed
EP-0680962-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1995-11-08 EP disclosed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 WO disclosed
WO-1995012577-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1995-05-11 WO disclosed