SCHEMBL3988068

SCHEMBL3988068

COC(=O)C1=C(C)N=C(OC)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
FAAH O00519 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTT P42858 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
THRB P10828 1/20 0.38
HSPB1 P04792 1/20 0.37

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
SCHEMBL6199441 0.95 MEN1 (0.44) MEN1KMT2AMAPTCACNA1FCACNA1D
SCHEMBL4294571 0.92 MGLL (0.42) MGLLFAAHMEN1KMT2AMAPT
SCHEMBL6194063 0.90 CACNA1F (0.41) MEN1KMT2ACACNA1FCACNA1DCACNA1S
SCHEMBL6195392 0.89 CACNA1F (0.40) MGLLFAAHMEN1KMT2AMAPT
SCHEMBL14760554 0.88 ALDH1A1 (0.43) MEN1KMT2AMAPTCACNA1FCACNA1D
SCHEMBL6247829 0.85 CACNA1F (0.36) MGLLFAAHMEN1KMT2AMAPT
SCHEMBL6641617 0.84 CACNA1F (0.41) MEN1KMT2AMAPTCACNA1FCACNA1D
SCHEMBL6644031 0.81 MYLK (0.39) MGLLFAAHMEN1KMT2AMAPT
SCHEMBL7529769 0.80 MGLL (0.36) MGLLFAAHMEN1KMT2AMAPT
SCHEMBL6646229 0.79 ADRA1D (0.39) MEN1KMT2ACACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 US disclosed
US-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 US disclosed
US-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 US disclosed
EP-1556351-A4 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2007-07-25 EP disclosed
EP-1556351-A1 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. Lundbeck A/S (DK) 2005-07-27 EP disclosed
WO-2004005257-A1 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. LUNDBECK A/S (DK) 2004-01-15 WO disclosed