SCHEMBL6682391

SCHEMBL6682391

CC(C)c1[nH]cnc1CCCOCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
HRH4 Q9H3N8 3/20 0.47
NAAA Q02083 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LSS P48449 1/20 0.35
FFAR1 O14842 1/20 0.34
IDO1 P14902 1/20 0.34
AGXT P21549 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
UGCG Q16739 3/20 0.34
GBA2 Q9HCG7 3/20 0.34
GBA1 P04062 2/20 0.34
LCT P09848 2/20 0.34
SI P14410 2/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL6697788 0.85 HRH3 (0.56) HRH3HRH4
SCHEMBL6682337 0.85 HRH4 (0.41) HRH3HRH4
SCHEMBL6658539 0.83 HRH3 (0.51) HRH3HRH4NAAAL3MBTL1TDP1
SCHEMBL6700085 0.73 HRH4 (0.43) HRH3HRH4
SCHEMBL6660593 0.70 HRH4 (0.42) HRH3HRH4TDP1
SCHEMBL6681815 0.69 HRH3 (0.60) HRH3HRH4TDP1
SCHEMBL9842913 0.68 RXRA (0.49) LSSFFAR1IDO1PPARGPPARD
SCHEMBL27011138 0.66 NAAA (0.58) HRH3HRH4NAAAL3MBTL1TDP1
SCHEMBL6667210 0.66 HRH3 (0.41) HRH3HRH4TDP1IDO1
SCHEMBL21633701 0.65 NAAA (0.58) HRH3HRH4NAAAL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446385-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2004-08-18 EP disclosed
WO-2003040106-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2003-05-15 WO disclosed