SCHEMBL6178443

SCHEMBL6178443

O=C(O)c1ccc(Oc2ccc3c(c2)CCC3=O)nc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.45
OPRD1 P41143 10/20 0.45
OPRK1 P41145 8/20 0.45
HRH3 Q9Y5N1 4/20 0.44
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
MAPT P10636 1/20 0.43
BRAF P15056 1/20 0.42

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
SCHEMBL387384 0.89 HRH3 (0.56) OPRM1OPRD1OPRK1HRH3
SCHEMBL6176557 0.84 PDE4B (0.61) OPRM1OPRD1OPRK1HRH3MAPT
SCHEMBL388345 0.82 HRH3 (0.57) OPRM1OPRD1OPRK1HRH3
SCHEMBL388369 0.79 HRH3 (0.56) OPRM1OPRD1OPRK1HRH3
SCHEMBL6181775 0.79 MAPK14 (0.45) HRH3MAPT
SCHEMBL1275273 0.74 SRD5A2 (0.66) MAPT
SCHEMBL29431442 0.74 SRD5A2 (0.66) MAPT
SCHEMBL30598689 0.74 RXRB (0.66)
SCHEMBL20798290 0.74 RXRB (0.66)
SCHEMBL388798 0.73 PARP10 (0.56) HRH3

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