SCHEMBL2285783

SCHEMBL2285783

CCN(CC)CCNC(=O)c1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.75
▸ EPHX2 P34913 4/20 0.56
▸ NR1H4 Q96RI1 1/20 0.56
▸ HDAC3 O15379 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ HDAC9 Q9UKV0 1/20 0.55
▸ HDAC5 Q9UQL6 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ POLB P06746 2/20 0.53
▸ BLM P54132 2/20 0.52
▸ CYP3A4 P08684 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
SCHEMBL6107273 0.86 MCHR1 (1.00) MCHR1EPHX2HDAC3HDAC4HDAC1
SCHEMBL10889965 0.79 MCHR1 (0.60) MCHR1EPHX2KCNH2POLBLMNA
SCHEMBL2648713 0.78 HDAC1 (0.68) EPHX2NR1H4HDAC3HDAC4HDAC1
SCHEMBL4881358 0.78 HDAC1 (0.72) EPHX2NR1H4HDAC3HDAC4HDAC1
SCHEMBL9490255 0.78 ALDH1A1 (0.70) MCHR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1499450 0.76 MCHR1 (0.65) MCHR1EPHX2NR1H4HDAC3HDAC4
SCHEMBL12845484 0.76 LMNA (0.72) MCHR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8507800 0.76 MCHR1 (0.73) MCHR1EPHX2NR1H4HDAC3HDAC4
SCHEMBL13581175 0.76 TRPV1 (0.79) EPHX2NR1H4HDAC3HDAC4HDAC1
SCHEMBL2649617 0.75 MCHR1 (0.53) MCHR1EPHX2NR1H4ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003081-B2 Method for improvement of tolerance for therapeutically effective agents delivered by inhalation GILEAD SCIENCES, INC. (US) 2011-08-23 — — US claimed
US-7452524-B2 Method for improvement of tolerance for therapeutically effective agents delivered by inhalation GILEAD SCIENCES, INC. (US) 2008-11-18 — — US claimed
US-8003081-B2 Method for improvement of tolerance for therapeutically effective agents delivered by inhalation GILEAD SCIENCES, INC. (US) 2011-08-23 — — US disclosed
US-20090004279-A1 Method For Improvement Of Tolerance For Therapeutically Effective Agents Delivered By Inhalation GILEAD SCIENCES, INC. 2009-01-01 — — US disclosed
US-7452524-B2 Method for improvement of tolerance for therapeutically effective agents delivered by inhalation GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
EP-1807123-A2 A METHOD FOR IMPROVEMENT OF TOLERANCE FOR THERAPEUTICALLY EFFECTIVE AGENTS DELIVERED BY INHALATION Corus Pharma Inc. (US) 2007-07-18 — — EP disclosed
WO-2006060027-A2 A METHOD FOR IMPROVEMENT OF TOLERANCE FOR THERAPEUTICALLY EFFECTIVE AGENTS DELIVERED BY INHALATION CORUS PHARMA, INC. (US) 2006-06-08 — — WO disclosed
US-20060062738-A1 Method for improvement of tolerance for therapeutically effective agents delivered by inhalation GILEAD SCIENCES, INC. 2006-03-23 — — US disclosed
WO-2005025498-A2 SUBSTITUTED ACETANILIDES AND BENZAMIDES FOR THE TREATMENT OF ASTHMA AND PULMONARY INFLAMMATION CORUS PHARMA (US) 2005-03-24 — — WO disclosed
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