SCHEMBL6604593

SCHEMBL6604593

CCCN(CCC)CCOc1cc(NC(=O)c2ccc(-c3ccccc3)s2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.57
MAPT P10636 3/20 0.54
TP53 P04637 3/20 0.52
WNT3A P56704 1/20 0.51
RXFP1 Q9HBX9 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTR2C P28335 1/20 0.49
NPC1 O15118 1/20 0.48
PPARG P37231 1/20 0.48
RAB9A P51151 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
ACKR3 P25106 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 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
SCHEMBL6602070 0.87 MCHR1 (0.67) MCHR1MAPTTP53WNT3ARXFP1
SCHEMBL6921907 0.84 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL6605524 0.82 KMT2A (0.68) MCHR1MAPTTP53SMN1; SMN2NPC1
SCHEMBL6602810 0.80 MCHR1 (0.54) MCHR1MAPTSMN1; SMN2HTR2CNPC1
SCHEMBL6609574 0.80 MCHR1 (0.63) MCHR1SMN1; SMN2HTR2CNPC1RAB9A
SCHEMBL6901278 0.80 MCHR1 (0.60) MCHR1HTR2C
SCHEMBL6898088 0.80 MCHR1 (0.67) MCHR1TP53SMN1; SMN2HTR2CNPC1
SCHEMBL6896989 0.80 MCHR1 (0.67) MCHR1TP53SMN1; SMN2HTR2CNPC1
SCHEMBL6603809 0.79 MCHR1 (0.54) MCHR1MAPTSMN1; SMN2HTR2CNPC1
SCHEMBL6603140 0.79 MCHR1 (0.54) MCHR1MAPTHTR2CKDM4E

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