SCHEMBL5323935

SCHEMBL5323935

COc1cc(CC(=O)NC(C)CCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
KMT2A Q03164 8/20 0.64
MEN1 O00255 5/20 0.64
BCHE P06276 1/20 0.55
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
TAS1R3 Q7RTX0 2/20 0.54
TAS1R1 Q7RTX1 2/20 0.54
APP P05067 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
SCHEMBL14399043 0.92 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1TAS1R3TAS1R1
SCHEMBL9169977 0.84 KMT2A (0.79) ALDH1A1KMT2AMEN1TAS1R3TAS1R1
SCHEMBL6800606 0.83 KEAP1 (0.56) ALDH1A1KMT2AMEN1BCHEMTNR1A
SCHEMBL29115514 0.82 KMT2A (0.58) ALDH1A1KMT2AMEN1MTNR1AMTNR1B
SCHEMBL18736058 0.80 MTNR1A (0.72) ALDH1A1KMT2AMEN1BCHEMTNR1A
SCHEMBL9416664 0.79 NPC1 (0.69) ALDH1A1KMT2AMEN1BCHEMTNR1A
SCHEMBL5323944 0.79 MTNR1A (0.59) ALDH1A1KMT2AMEN1BCHEMTNR1A
SCHEMBL6376395 0.79 MTNR1A (0.71) ALDH1A1KMT2AMEN1BCHEMTNR1A
SCHEMBL29066085 0.79 MTNR1A (0.62) KMT2AMEN1BCHEMTNR1AMTNR1B
SCHEMBL1114985 0.78 NPC1 (0.63) ALDH1A1KMT2AMEN1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007120083-A1 THE USE OF CARBOXAMIDE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, ALLERGIC AND DERMATOLOGICAL CONDITIONS ASTRAZENECA AB (SE) 2007-10-25 WO claimed
WO-2007120083-A1 THE USE OF CARBOXAMIDE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, ALLERGIC AND DERMATOLOGICAL CONDITIONS ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
WO-2007120083-A1 THE USE OF CARBOXAMIDE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, ALLERGIC AND DERMATOLOGICAL CONDITIONS ASTRAZENECA AB (SE) 2007-10-25 WO disclosed