SCHEMBL6605967

SCHEMBL6605967

CCN(CC)CCOc1cc(NC(=O)c2ccc(Cl)nc2)ccc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.63
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
KCNQ3 O43525 2/20 0.54
KCNQ2 O43526 2/20 0.54
KDR P35968 3/20 0.52
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL6604498 0.93 MCHR1 (0.55) MCHR1MEN1KMT2AALDH1A1LMNA
SCHEMBL6606130 0.90 MCHR1 (0.62) MCHR1MEN1KMT2AALDH1A1LMNA
SCHEMBL6604490 0.87 MCHR1 (0.64) MCHR1MEN1KMT2AALDH1A1LMNA
SCHEMBL2304880 0.85 KCNQ3 (0.68) MEN1KMT2AALDH1A1LMNAKCNQ3
SCHEMBL6926140 0.84 MCHR1 (0.72) MCHR1MEN1KMT2AALDH1A1KDR
SCHEMBL6610208 0.84 MCHR1 (0.63) MCHR1ALDH1A1LMNAKDRMAPT
SCHEMBL6925370 0.83 MCHR1 (0.71) MCHR1ALDH1A1KDRMAPTSMN1; SMN2
SCHEMBL6923988 0.83 MCHR1 (0.71) MCHR1ALDH1A1KDRSMN1; SMN2RAB9A
SCHEMBL6928256 0.82 MCHR1 (0.70) MCHR1MEN1KMT2AALDH1A1LMNA
SCHEMBL7723668 0.82 MCHR1 (0.61) MCHR1MEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed