SCHEMBL6179845

SCHEMBL6179845

CCOC(=O)c1ccc(Oc2cccc3c2CCC3=O)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
PDE4B Q07343 1/20 0.44
BRAF P15056 1/20 0.41
S1PR1 P21453 1/20 0.39
LMNA P02545 1/20 0.39
ABCB1 P08183 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
MAPT P10636 1/20 0.38
P2RX3 P56373 1/20 0.37
P2RY12 Q9H244 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37

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
SCHEMBL6178588 0.94 MRGPRX4 (0.46) ALDH1A1GAAPDE4BBRAFLMNA
SCHEMBL6179126 0.84 MRGPRX4 (0.47) ALDH1A1GAABRAFLMNAABCB1
SCHEMBL385379 0.83 NNMT (0.46) BRAFABCB1MRGPRX4
SCHEMBL6178023 0.82 ALDH1A1 (0.49) ALDH1A1GAAS1PR1MEN1KMT2A
SCHEMBL3046247 0.80 PDE4B (0.43) PDE4BS1PR1LMNAMEN1KMT2A
SCHEMBL6176411 0.77 MRGPRX4 (0.57) BRAFLMNAABCB1MRGPRX4MAPT
SCHEMBL4258650 0.77 MAPT (0.53) ALDH1A1GAAPDE4BMEN1KMT2A
SCHEMBL387352 0.76 MRGPRX4 (0.47) BRAFLMNAMRGPRX4
SCHEMBL6176557 0.76 PDE4B (0.61) PDE4BBRAFLMNAMAPT
SCHEMBL3060205 0.76 HTR2C (0.41) PDE4BLMNAMAPTP2RY12HTT

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-1066261-B1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMA CO LTD (JP) 2005-11-23 EP disclosed
US-6511995-B1 Inhibits collagen synthesis, which is useful for prophylaxis or treatment of fibrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-01-28 US disclosed
EP-1066261-A1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP disclosed
WO-1999048871-A1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-09-30 WO disclosed