SCHEMBL6173485

SCHEMBL6173485

O=c1oc(CCc2ccc(Br)cc2)cc(O)c1C(c1ccccc1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.37
HTR3A P46098 1/20 0.37
THRB P10828 1/20 0.35
DAO P14920 1/20 0.35
APLNR P35414 1/20 0.33
PPARG P37231 1/20 0.33
VKORC1 Q9BQB6 2/20 0.32
TEAD4 Q15561 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP2C9 P11712 3/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6174697 0.92 HTR2B (0.43) HTR2BHTR3ADAOPPARGVKORC1
SCHEMBL6175087 0.89 HTR2B (0.39) HTR2BHTR3ADAO
SCHEMBL6174618 0.89 HTR2B (0.37) HTR2BHTR3ADAO
SCHEMBL6174391 0.86 HTR2B (0.46) HTR2BHTR3ADAOLMNA
SCHEMBL6173304 0.86 HTR2B (0.43) HTR2BHTR3A
SCHEMBL6177695 0.83 CYP2C9 (0.38) VKORC1CYP2C9
SCHEMBL6174784 0.82 MEN1 (0.35) VKORC1CYP2C9
SCHEMBL27395375 0.82 AGTR2 (0.35) HTR2BHTR3ADAOVKORC1CYP2C9
SCHEMBL6174860 0.81 ELANE (0.33) HTR2BVKORC1CYP2C9
SCHEMBL6173428 0.81 CYP2C9 (0.47) HTR2BHTR3ATHRBDAOVKORC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203770-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 EP claimed
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP claimed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP claimed
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP claimed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO claimed
EP-1203770-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 EP disclosed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP disclosed
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO disclosed