SCHEMBL6604498

SCHEMBL6604498

CCCN(CCC)CCOc1cc(NC(=O)c2ccc(Cl)nc2)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.55
KCNQ3 O43525 2/20 0.53
KCNQ2 O43526 2/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.49
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR2C P28335 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
SCHEMBL6605967 0.93 MCHR1 (0.63) MCHR1KCNQ3KCNQ2MEN1KMT2A
SCHEMBL6606130 0.89 MCHR1 (0.62) MCHR1KCNQ3KCNQ2MEN1KMT2A
SCHEMBL6604490 0.86 MCHR1 (0.64) MCHR1KCNQ3KCNQ2MEN1KMT2A
SCHEMBL6605998 0.85 MCHR1 (0.64) MCHR1HTR2C
SCHEMBL6606159 0.84 ALDH1A1 (0.56) MCHR1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL2304880 0.84 KCNQ3 (0.68) KCNQ3KCNQ2MEN1KMT2AALDH1A1
SCHEMBL6603098 0.82 MCHR1 (0.52) MCHR1MEN1KMT2AALDH1A1LMNA
SCHEMBL6602569 0.82 MCHR1 (0.65) MCHR1MEN1KMT2AALDH1A1MAPT
SCHEMBL6921907 0.82 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL6898088 0.82 MCHR1 (0.67) MCHR1ALDH1A1SMN1; SMN2RAB9AHTR2C

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
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP claimed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP claimed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP 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